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274. 4-Amidophenol Quinone Methide Precursors: Effective and Broad-Scope Nonoxime Reactivators of Organophosphorus-Inhibited Cholinesterases and Resurrectors of Organophosphorus-Aged Acetylcholinesterase
Lovins, A. R.; Miller, K. A.; Buck, A. K.; Ensey, D. S.; Homoelle, R. K.; Murtha, M. C.; Ward, N. A.; Shanahan, L. A.; Gutti, G.; Shriwas, P.; McElroy, C. A.; Callam C. S.; Hadad, C. M.
ACS Chem. Neurosci. 2024, 15, 1813-1827. DOI: 10.1021/acs.chemrestox.4c00024
273. Treatment of Organophosphorus Poisoning with 6-Alkoxypyridin-3-ol Quinone Methide Precursors: Resurrection of Methylphosphonate-Aged Acetylcholinesterase
Clay, W. K.; Buck, A. K.; He, Y.; Hernández Sánchez, D. N.; Ward, N. A.; Lear, J. M.; Nguyen, K. Q.; Clark, B. H.; Sapia, R. J.; Lalisse, R. F.; Sriraman, A.; Cadieux, C. L.; McElroy, C. A.; Callam C. S.; Hadad, C. M.
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272. Identification of Corrosive Volatile Compounds Found in the Headspace of Chicken Noodle Soup Retorted in Metal Cans
Wu, Y. J.; Ruffley, K.; Dhuey, E.; Hadad, C. M.; Pascall, M. A.
Int. J. Food Science. 2023, Article ID 9662709, 16 pages.
271. Mass Spectrometry Approach for Differentiation of Positional Isomers of Saccharides: Toward Direct Analysis of Rare Sugars
Amoah, E.; Kulyk, D. S.; Callam C. S.; Hadad, C. M.; Badu-Tawiah, A. K.
Anal. Chem. 2023, 95, 5635 – 5642.
270. Highly Enantioselective Catalytic Alkynylation of Quinolones: Substrate Scope, Mechanistic Studies, and Applications in the Syntheses of Chiral N-Heterocyclic Alkaloids and Diamines
Gaun, Y.; Buivydas, T. A.; Lalisse, R. F.; Laybourn, K. B.; Stern, C.; Richins, M.; Burns, S. M.; Shelby, A.; Hadad, C. M.; Mattson, A. E.
ACS Catal. 2023, 13, 7661 – 7668.
269. In-silico guided design, screening, and molecular dynamic simulation studies for the identification of potential SARS-CoV-2 main protease inhibitors for the targeted treatment of COVID-19
Gutti, G.; He, Y.; Coldren, W. H.; Lalisse, R. F.; Border, S. E.; Hadad, C. M.; McElroy, C. A.; Dogan Ekici, O.
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268. Ligand Control in Co-Catalyzed Regio- and Enantioselective Hydroboration. Homoallyl Secondary Boronates via Uncommon 4,3-Hydroboration of 1,3-Dienes
Parsutkar, M. M.; Bhunia, S.; Majumder, M.; Lalisse, R. F.; Hadad, C. M.; RajanBabu, T. V.
J. Am. Chem. Soc. 2023, 145, 7462 – 7481.
267. Vibrational Relaxation by Methylated Xanthines in Solution: Insights from 2D IR Spectroscopy and Calculations
Hanes, A. T.; Grieco, C.; Lalisse, R. F.; Hadad, C. M.; Kohler, B.
J. Chem. Phys. 2023, 158, 044302.
266. Cooperative Asymmetric Dual Catalysis Involving a Chiral N-Heterocyclic Carbene Organocatalyst and Palladium in an Annulation Reaction: Mechanism and Origin of Stereoselectivity
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ACS Catal. 2023, 13, 1133 – 1148.
265. [3 + 2]-Cycloadditions with Porphyrin β,β′-Bonds: Theoretical Basis of the Counterintuitive meso-Aryl Group Influence on the Rates of Reaction
Lalisse, R. F.; Hadad, C. M.; Brückner, C.; Guberman-Pfeffer, M. J.
J. Org. Chem. 2022, 87, 16473 – 16482.
264. Capturing Fleeting Intermediates in a Claisen Rearrangement Using Nonequilibrium Droplet Imbibition Reaction Conditions
Sahraeian, T.; Kulyk, D. S.; Fernandez, J. P.; Hadad, C. M.; Badu-Tawiah, A. K.
Anal. Chem. 2022, 94, 15093 – 15099.
263. Resolving Graphite-Electrolyte Interphase of Lithium-Ion Batteries Using Air-Tight Ambient Mass Spectrometry
Sahraeian, T.; Zheng, J.; Lalisse, R. F.; Hadad, C. M.; Wu, Y.; Badu-Tawiah, A. K.
Batteries & Supercaps. 2022, e202200280.
262. Enantioselective Dearomative Alkynylation of Chromanones: Opportunities and Obstacles
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Synthesis. 2022, 54, 4210 – 4219.
261. Molecular Docking as a Tool to Examine Organic Cation Sorption to Organic Matter
Scott, S. E.; Fernandez, J. P.; Hadad, C. M.; MacKay, A. A.
Eviron. Sci. Tech. 2022, 56, 951-961.
260. A Computational Study of Competing Conformational Selection and Induced Fit in an Abiotic System
Lalisse, R. F.; Pavlovic, R. Z.; Hadad, C. M.; Badjić, J. D.
Phys. Chem. Chem. Phys. 2022, 24, 507-511.
259. Plasmonically Generated Tryptophan Anion Radical on Gold Nanoparticles Investigated by Combined Surface Enhanced Raman Scattering and Density Functional Theory Calculations
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J. Phys. Chem. C 2021, 125, 27596-27606.
258. Alkynyl-Based Covalent Organic Frameworks as High-Performance Anode Materials for Potassium-Ion Batteries
Wolfson, E. R.; Schkeryantz, L.; Moscarello, E. M.; Fernandez, J. P.; Paszek, J.; Wu, Y.; Hadad, C. M.; McGrier, P. L.
ACS Appl. Mater. Interfaces 2021, 13, 41628 – 41636.
257. Cationic Co(I) Catalysts for Regiodivergent Hydroalkenylation of 1,6-Enynes: An Uncommon cis–β-C-H Activation Leads to Z-Selective Coupling of Acrylates
Herbort, J. H.; Lalisse, R. F.; Hadad, C. M.; Rajanbabu, T. V.
ACS Catal. 2021, 11, 9605-9617.
256. Carbonate Alkalinity Enhances Triclosan Photolysis
Albanese, K. A.; Chakraborty, M.; Hadad, C. M.; Chin, Y.-P.
Aquatic Geochemistry 2021, 27, 159-171.
255. Heat-Induced compounds development in processed tomato and their influence on corrosion initiation in metal food cans
Dhuey, E.; Castada, H. Z.; Barringer, S.; Joseph, J.; Hadad, C. M.; Ruffley, K.; Pascall, M. A.
Food Science and Nutrition 2021, 9, 4134-4145.
254. From Selection to Instruction and Back – Competing Conformational Selection and Induced Fit Pathways in Abiotic Hosts
Pavlovic, R. Z.; Lalisse, R. F.; Hansen, A. L.; Waudby, C. A.; Lei, Z.; Guney, M.; Wang, X.; Hadad, C. M.; Badjic, J. D.
Angew. Chem. 2021, 60, 19942 – 19948.
253. Robust, Enantioselective Construction of Challenging, Biologically Relevant Tertiary Ether Stereocenters
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252. Chemical Warfare Agents & Treatments
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251. Design, Synthesis, and in vitro Evaluation of Aza-peptide Aldehydes and Ketones as Novel and Selective Protease Inhibitors
Corrigan, T. S.; Lotti Diaz, L. M.; Border, S. E.; Ratigan, S. C.; Kasper, K. Q.; Sojka, D.; Fajtova, P.; Caffrey, C. R.; Salvesen G. S.; McElroy, C. A.; Hadad, C. M.; Dogan Ekici, O.
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250. Insights on Absolute and Relative Stereocontrol in Stereodivergent Cooperative Catalysis
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249. [Mo2O2S8]2- small molecule dimer as a basis for hydrogen evolution reaction (HER) catalyst materials
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248. A Novel, Modified Human Butyrylcholinesterase Catalytically Degrades the Chemical Warfare Nerve Agent, Sarin
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Toxicol. Sci. 2020, 141, 133 – 146.
247. Twist-Turn-Twist Motif Chaperoned inside Molecular Baskets
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246. pH-Controlled Chiral Packing and Self-Assembly of a Coumarin Tetrapeptide
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245. Multivalent C-H···Cl/Br-C interactions directing the resolution of dynamic and twisted capsules
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244. Hypercoordinate iodine for catalytic asymmetric diamination of styrene: insights into the mechanism, role of solvent, and stereoinduction
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Chem. Sci. 2019, 10, 7082 – 7090.
243. Stereo- and Regioselective Synthesis of Molecular Baskets
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242. Resurrection and Reactivation of Acetylcholinesterase and Butyrylcholinesterase
Franjesevic, A. J.; Sillart, S. B.; Beck, J. M.; Vyas, S.; Callam, C. S.; Hadad, C. M.
Chem. Eur. J. 2019, 25, 5337 – 5371.
241. Polymorphism, Crystal Packing, Twinning, and Molecular Conformations in 5′-Halo-5′-deoxyguanosines and a Hydrate of the Pseudo-halide Analogue, 5′-Azido-5′-deoxyguanosine
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Cryst. Growth Des. 2018, 18, 6995-7005
240. Reactivity of Hydroxyl Radical in Nonaqueous Phases: Addition Reactions
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J. Phys. Chem. A 2018, 122,8326-8335
239. Direct Observation of an Alkylidenecarbene by Ultrafast Transient Absorption Spectroscopy
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238. Mechanistic Investigations into the Cyclization and Crystallization of Benzobisoxazole-Linked Two-Dimensional Covalent Organic Frameworks
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Chem. Sci. 2018, 9, 6417-6423
237. Origin of Stereoselectivity in the Amination of Alcohols Using Cooperative Asymmetric Dual Catalysis Involving Chiral Counter-Ions
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Chem. Sci. 2018, 9, 6126-6133
236. Demonstration of In Vitro Resurrection of Aged Acetylcholinesterase after Exposure to Organophosphorus Chemical Nerve Agents
Zhuang, Q.; Franjesevic, A. J.; Corrigan, T. S.; Coldren, W. H.; Dicken, R.; Sillart, S.; DeYong, A.; Yoshino, N.; Smith, J.; Fabry, S.; Fitzpatrick, K.; Blanton, T. G.; Joseph, J; Yoder, R. J.; McElroy, C. A.; Doğan Ekici, Ö.; Callam, C. S.; Hadad, C. M.
J. Med. Chem. 2018, 61 (16), 7034–7042
235. Cycloaddition Reactions of Azomethine Ylides and 1,3-Dienes on the C2V-Symmetrical Pentakisadduct of C60
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234. Light Activated Chemical Probing of Nucleobase Solvent Accessibility Inside Cells
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233. Photolysis- and Dissolved Organic Matter-Induced Toxicity of Triclocarbon to Daphnia magna
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232. Anion-Redox Mechanism of MoO(S2)2(2,2′-bipyridine) for Electrocatalytic Hydrogen Production
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231. Electron Transfer Kinetics of a Series of Bilayer Triphenylamine-Oligothiophene-Perylenemonoimide Sensitizers for Dye-Sensitized NiO
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J. Phys. Chem. C 2017, 121, 20720−20728.
230. Examining the Scope and Thermodynamics of Assembly in Nesting Complexes Comprising Molecular Baskets and TPA Ligands
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229. Hypercoordinate Iodine Catalysts in Enantioselective Transformation: The Role of Catalyst Folding in Stereoselectivity
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228. Study of para-Quinone Methide Precursors toward the Realkylation of Aged Acetylcholinesterase
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227. Isoproturon Reappearance after Photosensitized Degradation in the Presence of Triplet Ketones or Fulvic Acids
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226. [MoO(S2)2L]1-(L= picolinate or pyrimidine-2-carboxylate) Complexes as MoSx Inspired Electrocatalysts for Hydrogen Production in Aqueous Solution
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225. Assembly and Folding of Twisted Baskets in Organic Solvents
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224. Dimeric FeFe-Hydrogenase Mimics Bearing Carboxylic Acids: Synthesis and Electrochemical Investigation
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223. Efforts Toward Treatments Against Aging of Organophosphorus-inhibited Acetylcholinesterase
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222. Improved Flavin-Based Catalytic Photooxidation of Alcohols through Intersystem Crossing Rate Enhancement
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221. Pourbaix Diagrams in Weakly Coupled Systems: A Case Study Involving Acridinol and Phenanthridinol Pseudobases
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220. Russian Nesting Doll Complexes of Molecular Baskets and Zinc Containing TPA Ligands
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219. Tunable Molecular MoS2 Edge-Site Mimics for Catalytic Hydrogen Production
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218. Two-Dimensional Supramolecular Polymers Embodying Large Unilamellar Vesicles in Water
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217. Dimeric [Mo2S12]2- Cluster: A Molecular Analogue of MoS2 Edges for Superior Hydrogen-Evolution Electrocatalysis
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216. On the Transfer of Chirality, Thermodynamic Stability, and Folding Characteristics of Stereoisomeric Gated Baskets
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215. Dual-Cavity Basket Promotes Encapsulation in Water in an Allosteric Fashion
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214. The Ubiquitous Assembly of Amphiphilic Baskets into Unilamellar Vesicles and Their Recognition Characteristics
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213. Gated Molecular Baskets
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212. A Double-Acceptor as a Superior Organic Dye Design for p-Type DSSCs: High Photocurrents and the Observed Light Soaking Effect
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211. Recognition Characteristics of an Adaptive Vesicular Assembly of Amphiphilic Baskets for Selective Detection and Mitigation of Toxic Nerve Agents
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210. Structure-Based Optimization of a Peptidyl Inhibitor against Calcineurin-Nuclear Factor of Activated T Cell (NFAT) Interaction
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209. Mechanistic Studies of Electrode-Assisted Catalytic Oxidation by Flavinium and Acridinium Cations
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208. Urea-Catalyzed N-H Insertion-Arylation Reactions of Nitrodiazoesters
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207. On the Encapsulation of Hydrocarbon Components of Natural Gas Within Molecular Baskets in Water. The Role of C-H···π Interactions and the Host’s Conformational Dynamics in the Process of Encapsulation
Ruan, Y.; Peterson, P. W.; Hadad, C. M.; Badjic, J. D.
Chem. Commun. 2014, 50, 9086–9089.
206. Trapping of Organophosphorus Chemical Nerve Agents in Water with Amino Acid Functionalized Baskets
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205. Concomitant Nitrene and Carbene Insertion Accompanying Ring Expansion: Spectroscopic, X-Ray, and Computational Studies
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204. Computational Methods for the Study of Carbenes and Their Excited States
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203. The Assembly of Amphiphilic Baskets into Stimuli-Responsive Vesicles. Developing a Strategy for the Detection of Organophosphorus Chemical Nerve Agents
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202. On the Role of Guests in Enforcing the Mechanism of Action of Gated Baskets
Ruan, Y.; Wang, B.-Y.; Erb, J. M.; Chen, S.; Hadad, C. M.; Badjic, J. D.
Org. Biomol. Chem. 2013, 11, 7667–7675
201. A First-principles Study of the Role of Quaternary-N Doping on the Oxygen Reduction Reaction Activity and Selectivity of Graphene Edge Sites
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Topics in Catalysis 2013, 56, 1623–1633.
200. Towards Organic Photohydrides: Excited-state Behavior of 10-Methyl-9-phenyl-9, 10-dihydroacridine
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199. The photochemistry of 4,5-Carbomethoxy-1,2,3-thiadiazole: Direct Observation of Thiirene Formation and its Decay in Solution
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198. The Prospect of Selective Recognition of Nerve Agents with Modular Basket-like Hosts. A Structure-Activity Study of the Entrapment of a Series of Organophosphonates in Aqueous Media
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197. A Method for the Preparation of Derivatives of Heptiptycene: Toward Dual-Cavity Baskets
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196. Specificity Profiling of Dual Specificity Phosphatase Vaccinia VH1-related (VHR) Reveals Two Distinct Substrate Binding Modes
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195. The Entrapment of Chiral Guests with Gated Baskets. Can a Kinetic Discrimination of Enantiomers be Governed via Gating?
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194. Mechanistic Aspects of Ketene Formation Deduced from Femtosecond Photolysis of Diazocyclohexadienone, o-Phenylene Thioxocarbonate and 2-Chlorophenol
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193. Aminoacyl-tRNA Substrate and Enzyme Backbone Atoms Contribute to Translational Quality Control by YbaK
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J. Phys. Chem. B 2013, 117, 4521–4527.
192. Birch Reductive Alkylation of Methyl m-(Hydroxymethyl)benzoate Derivatives and the Behavior of o- and p-(Hydroxymethyl)benzoates under Reductive Alkylation Conditions
Fretz, S. J.; Hadad, C. M.; Hart, D. J.; Vyas, S.; Yang, D.
J. Org. Chem. 2013, 78, 83–92.
191. Right- and Left- Handed Helices, What is in between? Interconversion of Helical Structures of Alternating Pyridinedicarboxamide/m-(phenylazo)azobenzene Oligomers
Tao, P.; Parquette, J. R.; Hadad, C. M.
J. Chem. Theory Comput. 2012, 8, 5137–5149.
190. Electrode-Assisted Catalytic Water Oxidation by a Flavin Derivative
Mirzakulova, E.; Rhatmullin, R.; Walpita, J.; Corrigan, T.; Vargas-Barbosa, N. M.; Vyas, S.; Oottikkal, S.; Manzer, S. F.; Hadad, C. M.; Glusac, K. D.
Nature Chemistry 2012, 4, 794–801.
189. Mechanistic Study of the Photochemical Hydroxide Ion Release from 9-Hydroxy-10-methyl-9-phenyl-9,10-dihydroacridine
Zhou, D.; Khatmullin, R.; Walpita, J.; Miller, N. A.; Luk, H. L.; Vyas, S.; Hadad, C. M.; Glusac, K. D.
J. Am. Chem. Soc. 2012, 134, 11301–11303.
188. Mechanistic Insights into the Hydrolysis of Organophosphorus Compounds by Paraoxonase-1: Exploring the Limits of Substrate Tolerance in a Promiscuous Enzyme
Muthukrishnan, S.; Shete, V. S.; Sanan, T. T.; Vyas, S.; Oottikkal, S.; Porter, L. M.; Magliery, T. J.; Hadad, C. M.
J. Phys. Org. Chem. 2012, 25, 1247–1260.
187. Spin Trapping of Hydroperoxyl Radical by a Cyclic Nitrone Conjugated to β-Cyclodextrin: A Computational Study
Bao, X.; Tao, P.; Villamena, F. A.; Hadad, C. M.
Theor. Chem. Acc. 2012, 131, 1248–1257.
186. Oxalate Bridged MM Quadruply Bonded Oligomers: Considerations of Electronic Structure and Synthetic Strategies
Chisholm, M. H.; Durr, C. B.; Hadad, C. M.; Spilker, T. F.
J. Cluster Sci. 2012, 23, 767–780.
185. Ultrafast Infrared and UV-vis Studies of the Photochemistry of Methoxycarbonylphenyl Azides in Solution
Xue, J.; Luk, H. L.; Eswaran, S. V.; Hadad, C. M.; Platz, M. S.
J. Phys. Chem. A 2012, 116, 5325–5336.
184. An Ultrafast Time-resolved Infrared and UV–vis Spectroscopic and Computational Study of the Photochemistry of Acyl Azides
Vyas, S.; Kubicki, J.; Luk, H. L.; Zhang, Y.; Gritsan, N. P.; Hadad, C. M.; Platz, M. S.
J. Phys. Org. Chem. 2012, 25, 693–703.
183. An Acid-Catalyzed Cyclialkylation that Provides Rapid Access to a Twisted Molecular Basket
Hermann, K.; Turner, D. A.; Hadad, C. M.; Badjic, J. D.
Chem. Eur. J. 2012, 18, 8301 – 8305.
182. The C2 hydroxyl group governs the difference in hydrolysis rates of methyl-α-D-glycero-D-guloseptanoside and methyl-β-D-glycero-D-guloseptanoside
Beck, J. M.; Miller, S. M.; Peczuh, M. W.; Hadad, C. M.
J. Org. Chem. 2012, 77, 4242–4251.
181. Direct Observation of a Sulfonyl Azide Excited State and Its Decay Processes by Ultrafast Time Resolved IR Spectroscopy
Kubicki, J.; Luk, H. L.; Zhang, Y.; Vyas, S.; Peng, H.-L.; Hadad, C. M.; Platz, M. S.
J. Am. Chem. Soc. 2012, 134, 7036–7044.
180. Substrate and Enzyme Functional Groups Contribute to Translational Quality Control by Bacterial Prolyl-tRNA Synthetase
Kumar, S.; Das, M.; Hadad, C. M., Musier-Forsyth, K.
J. Phys. Chem. B 2012, 116, 6991–6999.
179. A Stereodynamic and Redox-Switchable Encapsulation-Complex Containing a Copper Ion Held by a tris-Quinolinyl Basket
Stojanovic, S.; Turner, D. A.; Share, A. I.; Flood, A. H.; Hadad, C. M., Badjic, J. D.
Chem. Commun. 2012, 48, 4429–4431.
178. The Design, Preparation and Study of Catalytic Gated Baskets. The Epoxidation of Alkenes in a Gated Space
Wang, B.-Y.; Zujović, T.; Turner, D. A.; Hadad, C. M.; Badjić, J. D.
J. Org. Chem. 2012, 77, 2675–2688.
177. Substrate Specificity of Bacterial Prolyl-tRNA Synthetase Editing Domain is Controlled by a Tunable Hydrophobic Pocket
Kumar, S.; Das, M.; Hadad, C. M.; Musier-Forsyth, K.
J. Biol. Chem. 2012, 287, 3175–3184.
176. On The Mechanism of Action of Gated Molecular Baskets. The Synchronicity of the Revolving Motion of Gates and in/out Trafficking of Guests
Hermann, K.; Rieth, S.; Taha, H.; Wang, B.-Y.; Hadad, C. M., Badjic, J. D.
Beilstein J. Org. Chem., 2012, 8, 90–99.
175. Charge Competition in Halogenated Hydrocarbons
Gross, K. C.; Hadad, C. M.; Seybold, P. G.
Int. J. Quant. Chem. 2012, 112, 219–229.
174. A Multidisciplinary Approach to Probing Enthalpy–Entropy Compensation and the Interfacial Mobility Model
Wilfong, E. M.; Kogiso, Y.; Muthukrishnan, S.; Kowatz, T.; Du, Y.; Bowie, A.; Naismith, J. H.; Hadad, C. M.; Toone, E. J.; Gustafson, T. L.
J. Am. Chem. Soc. 2011, 133, 11515–11523.
173. Substrate-mediated Fidelity Mechanism Ensures Accurate Decoding of Proline Codons
So, B. R.; An, S.; Kumar, S.; Das, M.; Turner, D. A.; Hadad, C. M.; Musier-Forsyth, K.
J. Biol. Chem. 2011, 286, 31810–31820.
172. Time-Resolved Resonance Raman and Computational Investigation of the Influence of 4-Acetamido and 4-N-Methylacetamido Substituents on the Chemistry of Phenylnitrene
Xue, J.; Vyas, S.; Du, Y.; Luk, H. L.; Chuang, Y. P.; But, T. Y. S.; Toy, P. H.; Wang, J.; Winter, A. H.; Phillips, D. L.; Hadad, C. M.; Platz, M. S.
J. Phys. Chem. A 2011, 115, 7521–7530.
171. Bond Elongation in the Anion Radical of Coordinated Tetrazine Ligands: A Crystallographic, Spectroscopic and Computational Study of a Reduced {Re(CO)3Cl} Complex
Parimal, K.; Vyas, S.; Chen, C.-H.; Hadad, C. M.; Flood, A. H.
Inorg. Chem. Acta 2011, 374, 620–626.
170. Photochemistry of 2-Naphthoyl Azides. An Ultrafast Time-Resolved UV–Vis and IR Spectroscopic and Computational Study
Kubicki, J.; Zhang, Y.; Vyas, S.; Burdzinski, G.; Luk, H. L.; Wang, J.; Xue, J.; Peng, H.-L.; Pritchina, E. A.; Sliwa, M.; Buntinx, G.; Gritsan, N. P.; Hadad, C. M.; Platz, M. S.
J. Am. Chem. Soc. 2011, 133, 9751–9761.
169. The Role of Chirality in Directing the Formation of Cup-Shaped Porphyrins and the Coordination Characteristics of such Hosts
Wang, B.-Y.; Turner, D. A.; Zujovic, T.; Hadad, C. M.; Badjic, J. D.
Chem. Eur. J. 2011, 17, 8870–8881.
168. Controlling Dynamic Stereoisomerism in Transition-Metal Folded Baskets
Stojanovic, S.; Turner, D. A.; Hadad, C. M.; Badjic, J. D.
Chem. Sci. 2011, 2, 752–759.
167. Ultrafast Spectroscopy and Computational Study of the Photochemistry of Diphenylphosphoryl Azide: Direct Spectroscopic Observation of a Singlet Phosphorylnitrene
Vyas, S.; Muthukrishnan, S.; Kubicki, J.; McCulla, R. D.; Burdzinski, G.; Sliwa, M.; Platz, M. S.; Hadad, C. M.
J. Am. Chem. Soc. 2010, 132, 16796–16804.
166. Adsorption/Desorption Behavior of Ethanol Steam Reforming Reaction Products and Intermediates over Supported Cobalt Catalysts
Song, H.; Bao, X.; Hadad, C. M.; Ozkan, U. S.
Catal. Lett. 2011, 141, 43–54.
165. Electronic Properties of N(5)-Ethyl Flavinium Ion
Sichula, V.; Kucheryavy, P.; Khatmullin, R.; Hu, Y.; Mirzakulova, E.; Vyas, S.; Manzer, S. F.; Hadad, C. M.; Glusac, K. D.
J. Phys. Chem. A 2010, 114, 12138–12147.
164. A Computational Exploration of the Oxygen Reduction Reaction over a Carbon Catalyst Containing a Phosphinate Functional Group
Bao, X.; von Deak, D.; Biddinger, E. J.; Ozkan, U. S.; Hadad, C. M.
Chem. Commun. 2010, 46, 8621–8623.
163. Theory and Computation in the Study of Nitrenes and their Excited-State Photoprecursors
Vyas S.; Winter, A. H.; Hadad, C. M.
Nitrenes and Nitrenium Ions, Wiley Interscience, 33–76.
162. The Mechanism of N(5)-Ethyl-Flavinium Cation Formation Upon Electrochemical Oxidation of N(5)-Ethyl-4a-Hydroxyflavin Pseudobase
Sichula, V.; Hu, Y.; Mirzakulova, E.; Manzer, S. F.; Vyas, S.; Hadad, C. M.; Glusac, K. D.
J. Phys. Chem. B 2010, 114, 9452–9461.
161. Butyrylcholinesterase and G116H, G116S, G117H, G117N, E197Q and G117H/E197Q Mutants: A Molecular Dynamics Study
Vyas S.; Beck, J. M.; Xia, S.; Zhang, J.; Hadad, C. M.
Chemico-Biological Interactions 2010, 187, 241–245.
160. An ab Initio Study of the Ground and Excited State Chemistry of Phenyldiazirine and Phenyldiazomethane
Zhang, Y.; Vyas, S.; Hadad, C. M.; Platz, M. S.
J. Phys. Chem. A 2010, 114, 5902–5912.
159. Molecular Recognition of a Transition State
Bao, X.; Rieth, S.; Stojanovic, S.; Hadad, C. M.; Badjic, J. D.
Angew. Chem., Int. Ed. Engl. 2010, 49, 4816–4819.
158. Mechanism and Stereoselection in a Y-Catalyzed Transacylation Reaction. A Computational Modeling Study
Sanan, T. T.; RajanBabu, T. V.; Hadad, C. M.
J. Org. Chem. 2010, 75, 2369–2381.
157. Reaction Profiles of the Interaction between Sarin and Acetylcholinesterase and the S203C Mutant: Model Nucleophiles and QM/MM Potential Energy Surfaces
Beck, J. M.; Hadad, C. M.
Chemico-Biological Interactions 2010, 187, 220–224.
156. The Ability of Triplet Nitrenes to Abstract Hydrogen Atoms
Sankaranarayanan, J.; Rajam, S.; Hadad, C. M.; Gudmundsdottir, A. D.
J. Phys. Org. Chem. 2010, 23, 370–375.
155. Computational Modeling of Human Paraoxonase 1: Preparation of Protein Models, Binding Studies, and Mechanistic Insights
Sanan, T. T.; Muthukrishnan, S.; Beck, J. M.; Tao, P.; Hayes, C. J.; Otto, T. C.; Cerasoli, D. M.; Lenz, D. E.; Hadad, C. M.
J. Phys. Org. Chem. 2010, 23, 357–369.
154. Gated Molecular Recognition and Dynamic Discrimination of Guests
Rieth, S.; Bao, X.; Wang, B.-Y.; Hadad, C. M.; Badjic, J. D.
J. Am. Chem. Soc. 2010, 132, 773–776.
153. Photochemical Fate of Sulfadimethoxine in Aquaculture Waters
Guerard, J. J.; Chin, Y.-P.; Mash, H.; Hadad, C. M.
Environ. Sci. Technol. 2009, 43, 8587–8592.
152. A Study of the S1 Excited State of para-Methoxy 3-Phenyl-3-Methyl Diazirine by Ultrafast Time Resolved UV-Vis and IR Spectroscopies and Theory
Zhang, Y.; Burdzinski, G.; Kubicki, J.; Vyas, S.; Hadad, C. M.; Sliwa, M.; Poizat, O.; Buntinx, G.; Platz, M. S.
J. Am. Chem. Soc. 2009, 131, 13784–13790.
151. Pinpointing the Extent of Electronic Delocalization in the Re(I)-to-Tetrazine Charge-Separated Excited State Using Time-Resolved Infrared Spectroscopy
Li, G.; Parimal, K.; Vyas, S.; Hadad, C. M.; Flood, A. H.; Glusac, K. D.
J. Am. Chem. Soc. 2009, 131, 11656–11657.
150. Chemical Synthesis of Two Series of Nerve Agent Model Compounds and Their Stereoselective Interaction with Human Acetylcholinesterase and Human Butyrylcholinesterase
Barakat, N. H.; Zheng, X.; Gilley, C. B.; MacDonald, M.; Okolotowicz, K.; Cashman, J. R.; Vyas, S.; Beck, J. M.; Hadad, C. M.; Zhang, J.
Chem. Res. Toxicol. 2009, 22, 1669–1679.
149. Photoaffinity Labeling via Nitrenium Ion Chemistry: Protonation of the Nitrene Derived from 4-Amino-3-nitrophenyl Azide to Afford Reactive Nitrenium Ion Pairs
Voskresenska, V.; Wilson, R. M.; Panov, M.; Tarnovsky, A. N.; Krause, J. A.; Vyas, S.; Winter, A. H.; Hadad, C. M.
J. Am. Chem. Soc. 2009, 131, 11535–11547.
148. Optical Spectroscopic Studies of Mononitrated Benzo[a]pyrenes
Vyas, S.; Onchoke, K. K.; Rajesh, C. S.; Hadad, C. M.; Dutta, P. K.
J. Phys. Chem. A 2009, 113, 12558–12565.
147. Electronic Properties of 4-Substituted Naphthalimides
Kucheryavy, P.; Li, Guifeng; Vyas, S.; Hadad, C. M.; Glusac, K.
J. Phys. Chem. A 2009, 113, 6453–6461.
146. Direct Aldol Reactions Catalyzed by Intramolecularly Folded Prolinamide Dendrons: Dendrimer Effects on Stereoselectivity
Mitsui, K.; Hyatt, S. A.; Turner, D. A.; Hadad, C. M.; Parquette, J. R.
Chem. Commun. 2009, 3261–3263.
145. Water-Free Rare Earth-Prussian Blue Type Analogs: Synthesis, Structure, Computational Analysis, and Magnetic Data of {LnIII(DMF)6FeIII(CN)6}∞ (Ln = Rare Earths Excluding Pm)
Wilson, D. C.; Liu, S.; Chen, X.; Meyers, E. A.; Bao, X.; Prosvirin, A. V.; Dunbar, K. R.; Hadad, C. M.; Shore, S. G.
Inorg. Chem. 2009, 48, 5725–5735.
144. Combustion Pathways of the Alkylated Heteroaromatics: Bond Dissociation Enthalpies and Alkyl-Group Fragmentations
Hayes, C. J.; Hadad, C. M.
J. Phys. Chem. A 2009, 113, 12370–12379.
143. Encapsulation of Guests within a Gated Molecular Basket – Thermodynamics and Selectivity
Wang, B.; Bao, X.; Stojanovic, S.; Hadad, C. M.; Badjic, J. D.
Org. Lett. 2008, 10, 5361–5364.
142. A 3-fold “Butterfly Valve” in Command of the Encapsulation’s Kinetic Stability. Molecular Baskets at Work
Wang, B.; Bao, X.; Yan, Z.; Maslak, V.; Hadad, C. M.; Badjic, J. D.
J. Am. Chem. Soc. 2008, 130, 15127–15133.
141. A Close Inspection of Ag(I) Coordination to Molecular Baskets. A Study of Guest Encapsulation in Solution and the Solid State
Gardlik, M.; Yan, Z.; Xia, S.; Hadad, C. M.; Badjic, J. D.
Tetrahedron 2009, 65, 7213–7219.
140. Stereoselectivity in the Epoxidation of Carbohydrate-based Oxepines
Markad, S. D.; Xia, S.; Snyder, N. L.; Hadad, C. M.; Peczuh, M. W.
J. Org. Chem. 2008, 73, 6341–6354.
139. Synthesis and Characterization of Amino Derivatives of Persistent Trityl Radicals as Dual Function pH and Oxygen Paramagnetic Probes
Dhimitruka, I.; Bobko, A. A.; Hadad, C. M.; Zweier, J. L.; Khramtsov, V. V.
J. Am. Chem. Soc. 2008, 130, 10780–10787.
138. A Computational Study of the Ground and Excited State Structure and Absorption Spectra of Free-Base N-Confused Porphine and Free-Base N-Confused Tetraphenylporphyrin
Vyas, S.; Hadad, C. M.; Modarelli, D. A.
J. Phys. Chem. A 2008, 112, 6533–6549.
137. Molecular Encapsulation via Metal-to-Ligand Coordination in a Cu(I)-Folded Molecular Basket
Rieth, S.; Yan, Z.; Xia, S.; Gardlik, M.; Chow, A.; Fraenkel, G.; Hadad, C. M.; Badjic, J. D.
J. Org. Chem. 2008, 73, 5100–5109.
136. Photomodulated Chiral Induction in Helical Azobenzene Oligomers
King, E. D.; Tao, P.; Sanan, T. T.; Hadad, C. M.; Parquette, J. R.
Org. Lett. 2008, 10, 1671–1674.
135. Chemistry of Reactive Radical Intermediates in Combustion and the Atmosphere
Hayes, C. J.; Merle, J. K.; Hadad, C. M.
Adv. Phys. Org. Chem. 2009, 43, 79–134.
134. Reactivation of Model Cholinesterases by Oximes and Intermediate Phosphyloximes: A Computational Study
Vyas, S.; Hadad, C. M.
Chemico-Biological Interactions 2008, 175, 187–191.
133. Hydrolysis of Nerve Agents by Model Nucleophiles: A Computational Study
Beck, J. M.; Hadad, C. M.
Chemico-Biological Interactions 2008, 175, 200–203.
132. Time-Resolved Resonance Raman Observation of the Dimerization of Didehydroazepines in Solution
Xue, J.; Du, Y.; Chuang, Y. P.; Phillips, D. L.; Wang, J.; Luk, C.; Hadad, C. M.; Platz, M. S.
J. Phys. Chem. A 2008, 112, 1502–1510.
131. [Bis(trispivalatodimolybdenum (II))-m-bis(4′-carboxylato-2,2′:6′,2″-terpyridine) ruthenium (II)] (2+) tetrafluoroborate. Preparation, Electronic Structure and Physical Properties
Chisholm, M. C.; Hadad, C. M.; Heinze, K.; Hempel, K.; Singh, N.; Vyas, S.
J. Cluster Sci. 2008, 19, 209–218.
130. Large Scale Synthesis and Characterization of a Persistent Trityl Radical for Use in Biomedical EPR Applications and Imaging
Dhimitruka, I.; Velayutham, M.; Bobko, A. A.; Khramtsov, V. V.; Villamena, F. A.; Hadad, C. M.; Zweier, J. L.
Bioorg. Med. Chem. Lett. 2007, 17, 6801–6805.
129. Computational study of the Curtius-like rearrangements of phosphoryl, phosphinyl, and phosphinoyl azides and their corresponding nitrenes
McCulla, R. D.; Gohar, G. A.; Hadad, C. M.; Platz, M. S.
J. Org. Chem. 2007, 72, 9426–9438.
128. Supramolecular Catalysis at Work. Diastereoselective Synthesis of a Molecular Bowl with Dynamic Inner Space
Yan, Z.; McCracken, T.; Xia, S.; Maslak, V.; Gallucci, J.; Hadad, C. M.; Badjic, J. D.
J. Org. Chem. 2008, 73, 355–363.
127. Rate Constants of Hydroperoxyl Radical Addition to Cyclic Nitrones: A DFT Study
Villamena, F. A.; Merle, J. K.; Hadad, C. M.; Zweier, J. L.
J. Phys. Chem. A 2007, 111, 9995–10001.
126. Early Events in the Photochemistry of 2-Naphthyl Azide from Femtosecond UV/Vis Spectroscopy and Quantum Chemical Calculations: Direct Observation of a Very Short Lived Singlet Nitrene
Wang, J.; Kubicki, J.; Burdzinski, G.; Hackett, J. C; Gustafson, T. L.; Hadad, C. M.; Platz, M. S.
J. Org. Chem. 2007, 72, 7581–7586.
125. Silver(I) Mediated Folding of a Molecular Basket
Yan, Z.; Xia, S.; Gardlik, M.; Seo, W.; Hadad, C. M.; Badjic, J. D.
Org. Lett. 2007, 9, 2301–2304.
124. Reactivity of Superoxide Radical Anion with Cyclic Nitrones: Role of Intramolecular H Bond and Electrostatic Effects
Villamena, F. A.; Xia, S.; Merle, J. K.; Lauricella, R.; Tuccio, R.; Hadad, C. M.; Zweier, J. L.
J. Am. Chem. Soc. 2007 129, 8177–8191.
123. Oxidative Dehalogenation of Perhalogenated Benzenes by Cytochrome P450 Compound I
Hackett, J. C; Sanan, T. T.; Hadad, C. M.
Biochemistry 2007, 46, 5924–5940.
122. Competition between a-Cleavage and Energy Transfer in a-Azidoacetophenones
Muthukrishnan, S.; Mandel, S. M.; Hackett, J. C.; Singh, P. N. D.; Hadad, C. M.; Krause, J. A.; Gudmundsdöttir, A. D.
J. Org. Chem. 2007, 72, 2757–2768.
121. Concerning the Electronic Coupling of MoMo Quadruple Bonds linked by 4,4′- Azodibenzoate and Comparison with t2g6-Ru(II) Centers by 4,4′-Azodiphenylcyanamido Ligands
Chisholm, M. H.; D’Acchioli, J. S.; Hadad, C. M.; Patmore, N. J.
Inorg. Chem. 2006, 45, 11035–11042.
120. Surface Complexes of Phthalic Acid at the Hematite/Water Interface
Hwang, Y. S.; Liu, J.; Lenhart, J. J.; Hadad, C. M.
J. Colloid Interface Sci 2007, 307, 124–134.
119. Theoretical and Experimental Studies of the Spin Trapping of Inorganic Radicals by 5,5-Dimethyl-1-Pyrroline N-oxide (DMPO). 2. Carbonate Radical Anion
Villamena, F. A.; Locigno, E. J.; Rockenbauer, A.; Hadad, C. M.; Zweier, J. L.
J. Phys. Chem. A 2007, 111, 384–391.
118. Oxidation of Oleic Acid at Air/Liquid Interfaces
Voss, L. F.; Bazerbaski, M. F.; Beekman, C. P.; Hadad, C. M.; Allen, H. C.
J. Geophys. Res. 2007, 112, D06209.
117. Theoretical and Experimental Studies of the Spin Trapping of Inorganic Radicals by 5,5-Dimethyl-1-Pyrroline N-oxide (DMPO). 1. Carbon Dioxide Radical Anion
Villamena, F. A.; Locigno, E. J.; Rockenbauer, A.; Hadad, C. M.; Zweier, J. L.
J. Phys. Chem. A 2006, 110, 13253–13258.
116. Conformational Analysis of Methyl 5-O-Methyl Septanosides: Effect of Glycosylation on Conformer Populations
DeMatteo, M. P.; Mei, S.; Fenton, R.; Morton, M.; Baldisseri, D. M.; Hadad, C. M.; Peczuh, M. W.
Carbohyd. Res. 2006, 341, 2927–2945.
115. A Comparison of the Hydrodynamic and Conformational Properties of 2-Methoxy Isophthalamide and Pyridine-2,6-dicarboxamide Dendrons
Gabriel, C. J.; DeMatteo, M. P.; Paul, N. M.; Hadad, C. M.; Parquette, J. R.
J. Org. Chem. 2006, 71, 9035–9044.
114. Generation and Experimental Confirmation of the Triplet Ground State of Oxynitrenes
Wasylenko, W. A.; Kebede, N.; Showalter, B. M.; Matsunaga, N.; Miceli, A. P.; Liu, Y.; Ryzhkov, L. R.; Hadad, C. M.; Toscano, J. P.
J. Am. Chem. Soc. 2006, 128, 13142–13150.
113. Synthesis of L-Daunosamine and L-Ristosamine Glycosides via Photoinduced Aziridination. Conversion to Thioglycosides for use in Glycosylation Reactions
Mendlik, M. T.; Tao, P.; Hadad, C. M.; Coleman, R. S.; Lowary, T. L.
J. Org. Chem. 2006, 71, 8059–8070.
112. Early Events in the Photochemistry of Aryl Azides from Femtosecond UV/Vis Spectroscopy and Quantum Chemical Calculations
Burdzinski, G.; Hackett, J. C; Wang, J.; Gustafson, T. L.; Hadad, C. M.; Platz, M. S.
J. Am. Chem. Soc. 2006, 128, 13402–13411.
111. The Physical and Electronic Structure of M2 Complexes: A Density Functional Theory Study
Chisholm, M. H.; D’Acchioli, J. S.; Hadad, C. M.
J. Cluster Sci. 2007, 18, 27–49.
110. Reactive Intermediates in Combustion
Merle, J. K.; Hadad, C. M.
Reviews of Reactive Intermediate Chemistry, Volume 2; Platz, M. S.; Moss, R. A.; Jones, M., Jr., Eds.; Wiley Interscience, 2007, pp. 247–270.
109. Reactivity of Molecular Oxygen with Ethoxycarbonyl Derivatives of Tetrathiatriarylmethyl Radicals
Xia, S.; Villamena, F. A.; Hadad, C. M.; Kuppusamy, P.; Li, Y.; Zhu, H.; Zweier, J. L.
J. Org. Chem. 2006, 71, 7268–7279.
108. Competition between Atmospherically Relevant Fatty Acid Monolayers at the Air/Water Interface
Voss, L. F.; Hadad, C. M.; Allen, H. C.
J. Phys. Chem. B 2006, 110, 19487–19490.
107. Design, Synthesis and Conformational Dynamics of a Gated Molecular Basket
Maslak, V.; Yan, Z.; Xia, S.; Gallucci, J.; Hadad, C. M.; Badjic, J. D.
J. Am. Chem. Soc. 2006, 128, 5887–5894.
106. A Stacking Interaction between a Bridging Hydrogen Atom and Aromatic pi Density in the n-B18H22-Benzene System
Hamilton, E. J. M.; Kultyshev, R. G.; Du, B.; Meyers, E. A.; Liu, S.; Hadad, C. M.; Shore, S. G.
Eur. J. Chem. 2006, 12, 2571–2578.
105. Spectroscopic and Computational Studies of the Non-Aqueous Solvation of n-Octanol and Ethanol
Levering, L. M.; Hayes, C. J.; Callahan, K.; Hadad, C. M.; Allen, H. C.
J. Phys. Chem. B 2006, 110, 6325–6331.
104. Structure and Vibrational Spectra of Mononitrated Benzo[a]pyrenes
Onchoke, K. K.; Hadad, C. M.; Dutta, P. K.
J. Phys. Chem. A 2006, 110, 76–84.
103. Electronically Coupled MM Quadruply-Bonded Complexes, (M=Mo or W). Employing Functionalized Terephthlalate Bridges: Toward Molecular Rheostats and Switches
Chisholm, M.H.; Feil, F.; Hadad, C. M.; Patmore, N. J.
J. Am. Chem. Soc. 2005, 127, 18150–18158.
102. The Direct Detection of an Aryl Azide Excited State: An Ultrafast Study of the Photochemistry of para and ortho-Biphenyl Azide
Burdzinski, G. T.; Gustafson, T. L.; Hackett, J. C.; Hadad, C. M.; Platz, M. S.
J. Am. Chem. Soc. 2005, 127, 13764–13765.
101. Superoxide Radical Adduct of 5,5-Dimethyl-1-pyrroline N-oxide (DMPO). 2. The Thermodynamics of Decay and EPR Spectral Properties
Villamena, F. A.; Merle, J. K.; Hadad, C. M.; Zweier, J. L.
J. Phys. Chem. A 2005, 109, 6089–6098.
100. Superoxide Radical Adduct of 5,5-Dimethyl-1-pyrroline N-oxide (DMPO). 1. The Thermodynamics of Formation and Its Acidity
Villamena, F. A.; Merle, J. K.; Hadad, C. M.; Zweier, J. L.
J. Phys. Chem. A 2005, 109, 6083–6088.
99. The Gas-Phase Acidity of 2(3H)-Oxepinone: A Step Towards an Experimental Heat of Formation for the 2-Oxepinoxy Radical
Kroner, S. M.; DeMatteo, M. P.; Hadad, C. M.; Carpenter, B. K.
J. Am. Chem. Soc. 2005, 127, 7466–7473.
98. On the Electrophilicity of Hydroxyl Radical: A Laser Flash Photolysis and Computational Study
DeMatteo, M. P.; Poole, J. S.; Shi, X.; Sachdeva, R.; Hatcher, P. G.; Hadad, C. M.; Platz, M. S.
J. Am. Chem. Soc. 2005, 127, 7094–7109.
97. Studies of Oxalate-bridged MM Quadruple Bonds and their Radical Cations (M = Mo or W): On the Matter of Linkage Isomers
Chisholm, M. H.; D’Acchioli, J. S.; Hadad, C. M.; Patmore, N. J.
Dalton Trans. 2005, 1852–1857.
96. Theoretical Determinations of the Ambient Conformational Distribution and Unimolecular Decomposition of n-Propylperoxy Radical
Merle, J. K.; Hayes, C. J.; Zalyubovsky, S. J.; Glover, B. G.; Miller, T. A.; Hadad, C. M.
J. Phys. Chem. A 2005, 109, 3637–3646.
95. The Final Catalytic Step of Cytochrome P450 Aromatase: A Density Functional Theory Study
Hackett, J. C.; Brueggemeier, R. W.; Hadad, C. M.
J. Am. Chem. Soc. 2005, 127, 5224–5237.
94. Insights into the Structure of Cutin and Cutan from Agave americana leaf cuticle using HRMAS NMR Spectroscopy
Deshmukh, A. P.; Simpson, A. J.; Hadad, C. M.; Hatcher, P. G.
Organic Geochemistry 2005, 36, 1072–1085.
93. A Study of Singlet and Triplet 2,6-Difluorophenylnitrene by Time Resolved Infrared Spectroscopy
Mandel, S.; Liu, J.; Hadad, C. M.; Platz, M. S.
J. Phys. Chem. A 2005, 109, 2816–2821.
92. Reaction of Hydroxyl Radical with Aromatic Hydrocarbons in Non-Aqueous Solutions – A Laser Flash Photolysis Study in Acetonitrile
Poole, J. S.; Shi, X.; Hadad, C. M.; Platz, M. S.
J. Phys. Chem. A 2005, 109, 2547–2551.
91. The Reaction of Triplet Nitrenes with Oxygen: A Computational Study
Liu, J.; Hadad, C. M.; Platz, M. S.
Org. Lett. 2005, 7, 549–552.
90. Observation of the A – X Electronic Transition of the 1-C3H7O2 and 2-C3H7O2 Radicals using Cavity Ringdown Spectroscopy
Zalyubovsky, S. J.; Glover, B. G.; Miller, T. A.; Hayes, C.; Merle, J. K.; Hadad, C. M.
J. Phys. Chem. A 2005, 109, 1308–1315.
89. Comparative DFT Study of the Spin Trapping of Methyl, Mercapto, Hydroperoxy, Superoxide and Nitric Oxide Radicals by Various Substituted Cyclic Nitrones
Villamena, F. A.; Hadad, C. M., Zweier, J. L.
J. Phys. Chem. A 2005, 109, 1662–1674.
88. Spectroscopic and Computational Studies of Aqueous Ethylene Glycol Solution Surfaces
Hommel, E. L.; Merle, J. K.; Ma, G.; Hadad, C. M.; Allen, H. C.
J. Phys. Chem. B 2005, 109, 811–818.
87. Septanose Carbohydrates: Synthesis and Conformational Studies of Methyl a-D-Glycero-D-idoseptanoside and Methyl b-D-Glycero-D-guloseptanoside
DeMatteo, M. P.; Snyder, N. L.; Morton, M.; Baldisseri, D. M.; Hadad, C. M.; Peczuh, M. W.
J. Org. Chem. 2005, 70, 24–38.
86. A Comparison of Acetyl and Methoxycarbonylnitrenes by Computational Methods and a Laser Flash Photolysis Study of Benzoylnitrene
Liu, J.; Mandel, S.; Hadad, C. M.; Platz, M. S.
J. Org. Chem. 2004, 69, 8583–8593.
85. Spin Trapping by 5-Carbamoyl-5-methyl-1-pyrroline N-oxide (AMPO): Theoretical and Experimental Studies
Villamena, F. A.; Gallucci, J.; Velayutham, M.; Hadad, C. M., Zweier, J. L.
J. Org. Chem. 2004, 69, 7994–8004.
84. Computational Study of the Oxygen Initiated Decomposition of 2-Oxepinoxy Radical: A Key Intermediate in the Oxidation of Benzene
Merle, J. K.; Hadad, C. M
J. Phys. Chem. A 2004, 108, 8419–8433.
83. Thienyl Carboxylate Ligands Bound to and Bridging MM Quadruple Bonds, M = Mo or W: Models for Polythiophenes Incorporating MM Quadruple Bonds
Byrnes, M. J.; Chisholm, M. H.; Clark, R. J. H.; Gallucci, J. C.; Hadad, C. M.; Patmore, N. J.
Inorg. Chem. 2004, 43, 6334–6344.
82. Electronically-Coupled Tungsten-Tungsten Quadruple Bonds: Comparisons of Electron Delocalization in 3,6-Dioxypyridazine and Oxalate-Bridged Compounds
Chisholm, M. H.; Clark, R. J. H.; Gallucci, J.; Hadad, C. M.; Patmore, N. J.
J. Am. Chem. Soc. 2004, 126, 8303–8313.
81. Regioregular and Regioirregular Oligoether Carbonates: A 13C{1H} NMR Investigation
Byrnes, M. J.; Chisholm, M. H.; Hadad, C. M.; Zhou, Z.
Macromolecules 2004, 37, 4139–4145.
80. 9,10-Anthracene Dicarboxylate Bridged Complexes with M2 Quadruply Bonded Tungsten Dimetal Units: [{M2(O2CtBu)3}2(m-9,10-An(CO2)2)], where M = Mo or W
Byrnes, M. J.; Chisholm, M. H.; Dye, D. F.; Hadad, C. M.; Wilson, P. J.; Zaleski, J. M.
Dalton Trans. 2004, 523–529.
79. 3,6-Dioxypyridazine Bridged Tungsten-Tungsten Quadruple Bonds. Comparisons of Electron Delocalisation with Oxalate Bridged Compounds
Chisholm, M. H.; Clark, R. J. H.; Hadad, C. M.; Patmore, N. J.
Chem. Commun. 2004, 80–82.
78. Theoretical Study of the Spin Trapping of Hydroxyl Radical by Cyclic Nitrones: A Density Functional Theory Approach
Villamena, F. A.; Hadad, C. M., Zweier, J. L.
J. Am. Chem. Soc. 2004, 126, 1816–1829.
77. M2(hpp)4Cl2 and M2(hpp)4, where M=Mo and W: Preparations, Structure and Bonding and Comparisons with C2, C2H2 and C2Cl2 and the Hypothetical Molecules M2(hpp)4(H)2
Chisholm, M. H.; Gallucci, J.; Hadad, C. M.; Huffman, J. C.; Wilson, P. J.
J. Am. Chem. Soc. 2003, 125, 16040–16049.
76. A Density Functional Theory Study of Nitrated Polycyclic Aromatic Hydrocarbons: Examining the Correlation between Nitro Group Orientation and Biological Activity
Onchoke, K. K.; Hadad, C. M.; Dutta, P. K.
Polycyclic Aromatic Compounds 2004, 24, 37–64.
75. Alkyne Adducts of [W2(OCH2tBu)8]. Cases of Perpendicular and Skewed Bridges in Equilibrium with Terminal Bonded Isomers
Chisholm, M. H.; Click, D. R.; Gallucci, J. C.; Hadad, C. M.; Wilson, P. J.
Organometallics 2003, 22, 4725–4733.
74. Photochemistry of 1-(N,N-Diethylamino)diazen-1-ium-1,2-diolate: An Experimental and Computational Investigation
Pavlos, C. M.; Cohen, A. D.; D’Sa, R. A.; Sunoj, R. B.; Wasylenko, W. A.; Kapur, P.; Relyea, H. A.; Kumar, N. A.; Hadad. C. M.; Toscano, J. P.
J. Am. Chem. Soc. 2003, 25, 14934–14940.
73. Regioselectivity in Alkylation Reactions of 1,2-O-Stannylene Acetals of D-Arabinofuranose
Darwish, O. S.; Callam, C. S.; Hadad, C. M.; Lowary, T. L.
J. Carbohydr. Chem. 2003, 22, 963–981.
72. A New Approach to Evaluating the Extent of Michael Adduct Formation to PAH Quinones: Tetramethylammonium Hydroxide (TMAH) Thermochemolysis with GC/MS
Briggs, M. K.; Desavis, E.; Mazzer, P. A.; Sunoj, R. B.; Hatcher, S. A.; Hadad, C. M.; Hatcher, P. G.
Chem. Res. Toxicol. 2003, 16, 1484–1492.
71. Mechanistic Studies of the Copolymerization of Propylene Oxide and Carbon Dioxide: A Microstructural Approach
Byrnes, M. J.; Chisholm, M. H.; Hadad, C. M.; Zhou, Z.
Polymer Preprints 2003, 44, 695–696.
70. Conformational Properties of Folded Metallodendrimers
Rauckhorst, M. R.; Wilson, P. J.; Hatcher, S. A.; Hadad, C. M.; Preston, A. J.; Parquette, J. R.
Polymer Preprints 2003, 44, 470–471.
69. Reactions of [W2(OCH2tBu)8] (M=M) with Diazobenzene and Trimethylsilyldiazomethane. Preparation and Structures of W2(OCH2tBu)8(NPh) and W2(OCH2tBu)8(N2C(H)SiMe3)
Chisholm, M. H.; Click, D. R.; Gallucci, J. C.; Hadad, C. M.
Dalton Trans. 2003, 3205–3210.
68. A Computational Study of the Halogen Atom-Benzene Complexes
Tsao, M.-L.; Hadad, C. M.; Platz, M. S.
J. Am. Chem. Soc. 2003, 125, 8390–8399.
67. Gas and Solution Phase Energetics of the Methyl a– and b-D-Aldopentofuranosides
Houseknecht, J. B.; Lowary, T. L.; Hadad, C. M.
J. Phys. Chem. A 2003, 107, 5763–5777.
66. Kinetic Study and Theoretical Analysis of Hydroxyl Radical Trapping and Spin Adduct Decay of Alkoxycarbonyl- and Dialkyloxyphosphoryl-nitrones in Aqueous Media
Villamena, F. A.; Hadad, C. M., Zweier, J. L.
J. Phys. Chem. A 2003, 107, 4407–4414.
65. “Locking” Dendrimer Confromation through Metal Coordination
Rauckhorst, M. R.; Wilson, P. J.; Hatcher, S. A.; Hadad, C. M.; Parquette, J. R.
Tetrahedron 2003, 59, 3917–3923.
64. Improved Karplus Equations for 3JC1,H4 in Aldopentofuranosides. Application to the Conformational Preferences of the Methyl Aldopentofuranosides
Houseknecht, J. B.; Lowary, T. L.; Hadad, C. M.
J. Phys. Chem. A 2003, 107, 372–378.
63. Alkyne Adducts of [W2(OCH2tBu)8]n (M=M). Comparisons of Bridging and Terminal Addition Products
Chisholm, M. H.; Click, D. R.; Galluci, J. C.; Hadad, C. M.; Wilson, P. J.
J. Am. Chem. Soc. 2002, 124, 14518–14519.
62. Substituent Effects on the Electronic Structure and pKa of Benzoic Acid
Hollingsworth, C. A.; Seybold, P. G.; Hadad, C. M.
Int. J. Quantum Chem. 2002, 90, 1396–1403.
61. Perfluoroterephthalate Bridged Complexes with M-M Quadruple Bonds: (tBuCO2)3M2(m-O2CC6F4CO2)M2(O2CtBu)3, where M = Mo or W. Studies of Solid-State, Molecular and Electronic Structure and Correlations with Electronic and Raman Spectral Data
Bursten, B. E.; Chisholm, M. H.; Clark, R. J. H.; Firth, S.; Hadad, C. M.; Wilson, P. J.; Woodward, P. W.; Zaleski, J. M.
J. Am. Chem. Soc. 2002, 124, 12244–12254.
60. Photoelectron Spectroscopy of HCCN– and HCNC– reveals the Quasilinear Triplet Carbenes, HCCN and HCNC
Nimlos, M. R.; Davico, G.; Geise, C. M.; Wenthold, P. G.; Lineberger, W. C.; Blanksby, S. J.; Hadad, C. M.; Petersson, G. A.; Ellison, G. B.
J. Chem. Phys. 2002, 117, 4323–4339.
59. The Photochemistry of Riboflavin Tetraacetate and Nucleosides. A Study using Density Functional Theory, Laser Flash Photolysis, Fluorescence, UV-Vis, and Time Resolved Infrared Spectroscopy
Martin, C. B.; Shi, X.; Tsao, M.-L.; Karweik, D.; Brooke, J.; Hadad, C. M.; Platz, M.S.
J. Phys. Chem. B 2002, 106, 10263–10271.
58. Electronic Coupling Between Molybdenum and Tungsten Quadruple Bonds in Molecular Squares and Extended Chains Linked by Oxalate, Acetylenedicarboxylate and Perfluoroterephthalate Bridges.
Bursten, B. E.; Chisholm, M. H.; Hadad, C. M.; Li, J.; Wilson, P. J.
Isr. J. Chem. 2001, 41, 187–195.
57. Conformational Analysis of Furanose Rings with PSEUROT: Parameterization for Rings Possessing the Arabino-, Lyxo-, Ribo- and Xylo- Stereochemistry and Application to Arabinofuranosides
Houseknecht, J. B.; Altona, C.; Hadad, C. M.; Lowary, T. L.
J. Org. Chem. 2002, 67, 4647–4651.
56. The Reaction of Triplet Flavin with Indole. A Study using Density Functional Theory and Time Resolved Infrared Spectroscopy
Martin, C. B.; Tsao, M.-L.; Hadad, C. M.; Platz, M. S.
J. Am. Chem. Soc. 2002, 124, 7226–7234.
55. Bystander Effects on Carbene Rearrangements: A Computational Study
Hill, B.; Zhu, Z.; Boeder, A.; Hadad, C. M.; Platz, M. S.
J. Phys. Chem. A 2002, 106, 4970–4979.
54. The Rearrangement Pathways of 2-Hydroxy-2-methylpropylidene: An Experimental and Computational Study
Farlow, R. A.; Thamattoor, D. M.; Sunoj, R. B.; Hadad, C. M.
J. Org. Chem. 2002, 67, 3257–3265.
53. Computational and Experimental Studies of the Effect of Substituents on the Singlet-Triplet Energy Gap in Phenyl(carbomethoxy)carbene
Geise, C. M.; Wang, Y.; Mykhaylova, O.; Frink, B. T.; Toscano, J. P.; Hadad, C. M.
J. Org. Chem. 2002, 67, 3079–3088.
52. Substituent Effects in the Interconversion of Phenylcarbene, Bicyclo[4.1.0]hepta-2,4,6-triene and 1,2,4,6-Cycloheptatetraene
Geise, C. M.; Hadad, C. M.
J. Org. Chem. 2002, 67, 2532–2540.
51. Photochemical Electron Transfer Reactions of Tirapazamine
Poole, J. S.; Hadad, C. M.; Platz, M. S.; Fredin, Z. P.; Pickard, L.; Chowdhury, G.; Kotandeniya, D.; Gates, K. S.
Photochem. Photobiol., 2002, 75, 339–345.
50. Oxalate-Bridged Complexes of Dimolybdenum and Ditungsten Supported by Pivalate Ligands: (tBuCO2)3M2(m-O2C2O2)M2(O2CtBu)3. Correlation of the Solid State, Molecular and Electronic Structures with Raman, Resonance Raman and Electronic Spectral Data
Bursten, B. E.; Chisholm, M. H.; Clark, R. J. H.; Firth, S.; Hadad, C. M.; Macintosh, A. M.; Wilson, P. J.; Woodward, P. W.; Zaleski, J. M.
J. Am. Chem. Soc. 2002, 124, 3050–3063.
49. Comparison of Different Atomic Charge Schemes for Predicting pKa Variations in Substituted Anilines and Phenols
Gross, K. C.; Seybold, P. G.; Hadad, C. M.
Int. J. Quantum Chem. 2002, 90, 445–458.
48. A Computational Study of Cyclopropylnitrene
Tsao, M.-L.; Hadad, C. M.; Platz, M. S.
Tetrahedron Lett. 2002, 43, 745–748.
47. Solvent Dependence of the 2-Naphthyl(carbomethoxy)carbene Singlet/Triplet Energy Gap
Wang, Y.; Hadad, C. M.; Toscano, J. P.
J. Am. Chem. Soc. 2002, 124, 1761–1767.
46. An Experimental and Computational Evaluation of the Energetics of the Isomeric Methoxyphenylcarbenes Generated in Carbon Atom Reactions
Geise, C. M.; Hadad, C. M.; Zheng, F.; Shevlin, P. B.
J. Am. Chem. Soc. 2002, 124, 355–364.
45. Computational Analysis of the Potential Energy Surfaces of Glycerol in the Gas and Aqueous Phases. Effects of Level of Theory, Basis Set, and Solvation on Strongly Intramolecularly Hydrogen-Bonded Systems
Callam, C. S.; Singer, S. J.; Lowary, T. L.; Hadad, C. M.
J. Am. Chem. Soc. 2001, 123, 11743–11754.
44. M2 d-to-Oxalate p* Conjugation in Oxalate-Bridged Complexes Containing M-M Quadruple Bonds
Bursten, B. E.; Chisholm, M. H.; Hadad, C. M.; Wilson, P. J.
Chem. Commun. 2001, 2382–2383.
43. Chalcogenide-Bridged Ditungsten (M-M) Complexes: An Experimental and Theoretical Study of the Electronic Structure and Bonding in W2(m-E)(m-OCH2tBu)2(OCH2tBu)6, where E = O, S, Se or Te
Bollinger, J. C.; Chisholm, M. H.; Click, D. R.; Folting, K.; Hadad, C. M.; Tiedtke, D. B.; Wilson, P. J.
J. Chem. Soc., Dalton Trans. 2001, 2074–2082.
42. Computational Studies of the Arabinofuranose Ring: Conformational Preferences of Fully Relaxed Methyl a-D-Arabinofuranoside
McCarren, P. R.; Gordon, M. T.; Lowary, T. L.; Hadad, C. M.
J. Phys. Chem. A 2001, 105, 5911–5922.
41. Conformational Studies of Methyl 3-O-Methyl-a-D-Arabinofuranoside: An Approach for Studying the Conformation of Furanose Rings
Houseknecht, J. B.; McCarren, P. R.; Lowary, T. L.; Hadad, C. M.
J. Am. Chem. Soc. 2001, 123, 8811–8824.
40. A Laser Flash Photolysis and Quantum Chemical Study of the Fluorinated Derivatives of Singlet Phenylnitrene
Gritsan, N. P.; Gudmundsdottir, A. D.; Tigelaar, D.; Zhu, Z.; Karney, W. L.; Hadad, C. M.; Platz, M. S.
J. Am. Chem. Soc. 2001, 123, 1951–1962.
39. Reactions of Ar+ with Selected Volatile Organic Compounds. A Flowing Afterglow and Selected Ion Flow Tube Study
Cohen, M. H.; Barckholtz, C.; Frink, B. T.; Bond, J. J.; Geise, C. M.; Hoff, J.; Herlinger, J.; Hickey, T.; Hadad, C. M.
J. Phys. Chem. A 2000, 104, 11318–11327.
38. Computational Study of the Electronic Structure of Substituted Phenylcarbene in the Gas Phase
Geise, C. M.; Hadad, C. M.
J. Org. Chem. 2000, 65, 8348–8356.
37. A Mechanistic Study of the Reactions of H, O (3P), and OH with Monocyclic Aromatic Hydrocarbons by Density Functional Theory
Barckholtz, C.; Barckholtz, T. A.; Hadad, C. M.
J. Phys. Chem. A 2001, 105, 140–152.
36. Unimolecular Decomposition of 2-Oxepinoxy Radical: A Key 7-Membered Ring Intermediate in the Thermal Oxidation of Benzene
Fadden, M. J.; Hadad, C. M.
J. Phys. Chem. A 2000, 104, 8121–8130.
35. The Rearrangement Pathways of Arylperoxy Radicals. 2. The Five-Membered Heterocycles
Fadden, M. J.; Hadad, C. M.
J. Phys. Chem. A 2000, 104, 6324–6331.
34. The Rearrangement Pathways of Arylperoxy Radicals. 1. The Azabenzenes
Fadden, M. J.; Hadad, C. M.
J. Phys. Chem. A 2000, 104, 6088–6094.
33. The Fragmentation Pathways of Protonated Glycine. A Computational Study
O’Hair, R. A. J.; Broughton, P. S.; Styles, M. L.; Frink, B. T.; Hadad, C. M.
J. Am. Soc. Mass Spectrom. 2000, 11, 687–696.
32. Formation of Anti-Bredt Olefins from Bridgehead Carbene Precursors: A Computational Study
Geise, C. M.; Hadad, C. M.
J. Am. Chem. Soc. 2000, 122, 5861–5865.
31. Zero-field Splitting of the Triplet Ground and Excited States of 7H-Benz[de]anthracen-7-ylidene in n-hexane at 1.7 K. A Hole Burning Study.
Kozankiewicz, B.; Aloshyna, M.; Sienkiewicz, A.; Orrit, M.; Tamarat, Ph.; Hadad, C. M.; Snoonian, J. R.; Platz, M. S.
J. Phys. Chem. A 2000, 104, 5213–5218.
30. Spectroscopic studies of 12-oxo-5(12H)-naphthacenylidene and 7H-Benz[de]anthracen-7-ylidene in Shpolskii matrixes at 5 K
Aloshyna, M.; Kozankiewicz, B.; Hadad, C. M.; Snoonian, J. R.; Platz, M. S.
J. Phys. Chem. A 2000, 104, 3391–3397.
29. The Interplay of Theory and Experiment in the Study of Phenylnitrene
Borden, W. T.; Gritsan, N. P.; Hadad, C. M.; Karney, W. L.; Kemnitz, C. R.; Platz, M. S.
Acc. Chem. Res. 2000, 33, 765–771.
28. Computational Study of the Unimolecular Decomposition Pathways of Phenylperoxy Radical
Fadden, M. J.; Barckholtz, C.; Hadad, C. M.
J. Phys. Chem. A 2000, 104, 3004–3011.
27. Probing Furanose Ring Conformation by Gas-Phase Computational Methods: Energy Profile and Structural Parameters in Methyl b-D-Arabinofuranoside as a Function of Ring Conformation
Gordon, M. T.; Lowary, T. L.; Hadad, C. M.
J. Org. Chem. 2000, 65, 4954–4963.
26. Time-Resolved IR Studies of Triplet 1,3-Cyclopentanediyl
Showalter, B. M.; Bentz, T. C.; Ryzhkov, L. R.; Hadad, C. M.; Toscano, J. P.
J. Phys. Org. Chem. 2000, 13, 309–312.
25. Flowing Afterglow Study of the Gas Phase Nucleophilic Reactions of Some Formyl, Acetyl and Cyclic Esters
Frink, B. T.; Hadad, C. M.
J. Chem. Soc., Perkin Trans. 2 1999, 11, 2397–2408.
(Memorial issue for the late Professor Robert R. Squires.)
24. A Computational Study of Methyl-a-D-Arabinofuranoside: Effect of Ring Conformation on Structural Parameters and Energy Profile
Gordon, M. T.; Lowary, T. L.; Hadad, C. M.
J. Am. Chem. Soc. 1999, 121, 9682–9692.
23. Computational Study of the Mechanisms for the Reaction of O2 with Aromatic Radicals
Barckholtz, C.; Fadden, M. J.; Hadad, C. M.
J. Phys. Chem. A 1999, 103, 8108–8117.
22. Experimental and Theoretical Investigations of Ring-Expansion in 1-Methylcyclopropylcarbene
Thamattoor, D. M.; Snoonian, J. R.; Sulzbach, H. M.; Hadad, C. M.
J. Org. Chem. 1999, 64, 5886–5895.
21. Spectroscopic and Computational Studies of Perfluorophenyl and Perfluoro-2-Naphthyl Nitrenes in Shpolskii Matrices
Kozankiewicz, B.; Deperasinska, I.; Zhai, H. B.; Zhu, Z.; Hadad, C. M.
J. Phys. Chem. A 1999, 103, 5003–5010.
20. A Laser Flash Photolysis and Computational Study of Singlet Phenylnitrene
Gritsan, N. P.; Zhu, Z.; Hadad, C. M.; Platz, M. S.
J. Am. Chem. Soc. 1999, 121, 1202–1207.
19. C-H and N-H Bond Dissociation Energies of Small Aromatic Hydrocarbons
Barckholtz, C.; Barckholtz, T. A.; Hadad, C. M.
J. Am. Chem. Soc. 1999, 121, 491–500.
18. Computational Studies of Halonium Ions of Cyclohexane and Cyclopentane
Damrauer, R.; Leavell, M. D.; Hadad, C. M.
J. Org. Chem. 1998, 63, 9476–9485.
17. C-O and C-S Bonds: Stability, Bond Dissociation Energies and Resonance Stabilization
Hadad, C. M.; Rablen, P. R.; Wiberg, K. B.
J. Org. Chem. 1998, 63, 8668–8681.
16. The Structure of Psoralen Triplet States: Time-Resolved Infrared Spectra and Quantum Chemical Calculations
Toscano, J. P.; Hadad, C. M.; Platz, M. S.; Gustafson, T. L. ; Yuzawa, T.; Hamaguchi, H. Time-Resolved Vibrational Spectroscopy VII, Dyer, R. B.; Martinez, M. A. D.; Shreve, A.; Woodruff, W. H. Eds. (Los Alamos Conference Proceedings, LA-13290, 1997), pp. 311–312.
15. Hydrogen Migration vs Carbon Migration in Dialkylcarbenes. A Study of the Preferred Product in the Carbene Rearrangements of Ethylmethylcarbene, Cyclobutylidene, 2-Norbornylidene and 2-Bicyclo[2.1.1]hexylidene
Sulzbach, H. M.; Platz, M. S.; Schaefer, H. F., III; Hadad, C. M.
J. Am. Chem. Soc. 1997, 119, 5682–5689.
14. Fluorescence Lifetime Measurements and Spectral Analysis of Adamantyl Diazirine
Buterbaugh, J. S.; Toscano, J. T.; Weaver, W. L.; Gord, J. R.; Hadad, C. M.; Gustafson, T. L.; Platz, M. S.
J. Am. Chem. Soc. 1997, 119, 3580–3591.
13. Butadiene. 3. Charge Distribution in Electronically Excited States
Wiberg, K. B.; Hadad, C. M.; Ellison, G. B.; Foresman, J. B.
J. Phys. Chem. 1993, 97, 13586–13597.
12. Tricyclo[2.1.0.01,3]pentane
Wiberg, K. B.; McMurdie, N.; McClusky, J. V.; Hadad, C. M.
J. Am. Chem. Soc. 1993, 115, 10653–10657.
11. A Theoretical and Experimental Investigation of Vicinal Tricarbonyl Systems and Their Hydrates
Henke, S. L.; Hadad, C. M.; Morgan, K. M.; Wiberg, K. B.; Wasserman, H. H.
J. Org. Chem. 1993, 58, 2830–2839.
10. Excited States of Carbonyl Compounds. I. Formaldehyde and Acetaldehyde
Hadad, C. M.; Foresman, J. B.; Wiberg, K. B.
J. Phys. Chem. 1993, 97, 4293–4312.
9. Electronically Excited States of Ethylene
Wiberg, K. B.; Hadad, C. M.; Foresman, J. B.; Chupka, W. A.
J. Phys. Chem. 1992, 96, 10756–10768.
8. Substituent Effects. 4. Nature of Substituent Effects at Carbonyl Groups
Wiberg, K. B.; Hadad, C. M.; Rablen, P. R.; Cioslowski, J.
J. Am. Chem. Soc. 1992, 114, 8644–8654.
7. Structures and Energies of Ions Derived from Bicyclo[1.1.1]pentane
Wiberg, K. B.; Hadad, C. M.; Sieber, S.; Schleyer, P. v. R.
J. Am. Chem. Soc. 1992, 114, 5820–5828.
6. Analysis of the Effect of Electron Correlation on Charge Density Distributions
Wiberg, K. B.; Hadad, C. M.; LePage, T. J.; Breneman, C. M.; Frisch, M. J.
J. Phys. Chem. 1992, 96, 671–679.
5. Stereochemistry of Metalated Aldimines. 2. A Theoretical Study of Dimeric Ion-Pair Aggregates of Isomeric Lithioacetaldimines and of their Kinetically Controlled Reactions with Formaldehyde
Glaser, R.; Hadad, C. M.; Wiberg, K. B.; Streitweiser, A.
J. Org. Chem. 1991, 56, 6625–6637.
4. How do Electrons Respond to Structural Changes?
Wiberg, K. B.; Hadad, C. M.; Breneman, C. M.; Laidig, K. E.; Murcko, M. A.; LePage, T. J.
Science 1991, 252, 1266–1272.
3. Assignment of the A State in Bicyclobutane. The Multiphoton Ionization Spectrum and Calculations of the Transition Energies
Walters, V. A.; Hadad, C. M.; Thiel, Y.; Colson, S. D.; Wiberg, K. B.; Johnson, P. M.; Foresman, J. B.
J. Am. Chem. Soc. 1991, 113, 4782–4791.
2. Interrelationships among Heats of Formation and Molecular Mechanics Steric Energies
Hadad, C. M.; Damewood, J. R., Jr.; Liebman, J. F.
Tetrahedron 1989, 45, 1623–1632.
1. Pyramidal Inversion in Silyl Anions
Damewood, J. R., Jr.; Hadad, C. M.
J. Phys. Chem. 1988, 92, 33–36.