Publications

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257. Cationic Co(I) Catalysts for Regiodivergent Hydroalkenylation of 1,6-Enynes: An Uncommon cisβ-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 (in press).

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 (in press).

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 (in press).

253. Robust, Enantioselective Construction of Challenging, Biologically Relevant Tertiary Ether Stereocenters
Gaun, Y.; Buivydas, T. A.; Lalisse, R. F.; Attard, J. W.; Ali, R.; Stern, C.; Hadad, C. M.; Mattson, A. E.
ACS Catal. 2021, 11, 6325 – 6333.

252. Chemical Warfare Agents & Treatments
Nosseir, O.; Hadad, C. M.
American Chemical Society 2021.

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.
J. Enz. Inhib. Med. Chem. 2020, 35, 1387 – 1402.

250. Insights on Absolute and Relative Stereocontrol in Stereodivergent Cooperative Catalysis
Changotra, A.; Bhaskararao, B.; Hadad, C. M.; Sunoj, R. B.
J. Am. Chem. Soc. 2020, 142, 9612 – 9624.

249. [Mo2O2S8]2- small molecule dimer as a basis for hydrogen evolution reaction (HER) catalyst materials
Chirdon, D. N.; Lalisse, R. F.; Sun, J.; Zhang, S.; Garrett, B. R.; Hadad, C. M.; Wu, Y.
SN Applied Sciences. 2020, 2, 889.

248. A Novel, Modified Human Butyrylcholinesterase Catalytically Degrades the Chemical Warfare Nerve Agent, Sarin
McGarry, K. G.; Lalisse, R. F.; Moyer, R. A.; Johnson, K. M.; Tallan, A. M.; Winters, T. P.; Taris J. E.; McElroy, C. A.; Lemmon, E. E.; Shafaat, H. S.; Fan Y.; Deal A.; Marguet, S. C.; Harvilchuck, J. A.; Hadad, C. M.; Wood, D. W.
Toxicol. Sci. 2020, 141, 133 – 146.

247. Twist-Turn-Twist Motif Chaperoned inside Molecular Baskets
Pavlovic, R. Z.; Border, S. E.; Finnegan, T. J.; Zhiquan, L.; Gunther, M. J.; Munoz, E.; Moore, C. E.; Hadad, C. M.; Badjic, J. D.
J. Am. Chem. Soc. 2019, 141, 16600 – 16604.

246. pH-Controlled Chiral Packing and Self-Assembly of a Coumarin Tetrapeptide
Mason, M. L.; Lalisse, R. F.; Finnegan, T. J.; Hadad, C. M.; Modarelli, D. A.; Parquette, J. R.
Langmuir. 2019, 35, 12460 – 12468.

245. Multivalent C-H···Cl/Br-C interactions directing the resolution of dynamic and twisted capsules
Pavlovic, R. Z.; Zhiquan, L.; Güney, M.; Lalisse, R. F.; Hopf, R. G.; Gallucci, J.; Moore, C.; Xie, H.; Hadad, C. M.; Badjic, J. D.
Chem. Eur. J. 2019, 25, 1 – 8.

244. Hypercoordinate iodine for catalytic asymmetric diamination of styrene: insights into the mechanism, role of solvent, and stereoinduction
Sreenithya, A.; Hadad, C. M.; Sunoj, R. B.
Chem. Sci. 2019, 10, 7082 – 7090.

243. Stereo- and Regioselective Synthesis of Molecular Baskets
Gunther, M. J.; Pavlović, R. Z.; Fernandez, J. P.; Zhiquan, L.; Gallucci, J.; Hadad, C. M.; Badjić, J. D.
J. Org. Chem. 2019, 84, 4392 – 4401.

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
Parkin, S. R.; Coldren, W. H.; Fernandez, J. P.;  Hadad, C. M.; Behrman, E. J.
Cryst. Growth Des.  2018, 18, 6995-7005

240. Reactivity of Hydroxyl Radical in Nonaqueous Phases: Addition Reactions
Johnson, E. M.; Waggoner, A. R.; Xia, S.; Luk, H. L.;  Hadad, C. M.; Poole, J. S.
J. Phys. Chem. A  2018, 122,8326-8335

239. Direct Observation of an Alkylidenecarbene by Ultrafast Transient Absorption Spectroscopy
Du, L.; Lan, X.; Phillips, D. L.; Coldren, W. H.;  Hadad, C. M.; Yang, X.;  Thamattoor, D. M.
J. Phys. Chem. A  2018122, 6852-6855

238. Mechanistic Investigations into the Cyclization and Crystallization of Benzobisoxazole-Linked Two-Dimensional Covalent Organic Frameworks
Pyles, D. A.; Coldren, W. H.; Eder, G.; Hadad, C. M.; McGrier, P. L.
Chem. Sci. 2018, 9, 6417-6423

237. Origin of Stereoselectivity in the Amination of Alcohols Using Cooperative Asymmetric Dual Catalysis Involving Chiral Counter-Ions
Tribedi, S.; Hadad, C. M.; Sunoj, R. B. 
Chem. Sci. 20189, 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. 201861 (16), 7034–7042

235. Cycloaddition Reactions of Azomethine Ylides and 1,3-Dienes on the C2V-Symmetrical Pentakisadduct of C60
Pavlović, R. Z.; Mitrović, A.; Coldren, W. H.; Bjelaković, M. S.; Hadad, C. M.; Maslak, V. R.; Millić, D. R. 
J. Org. Chem. 2018, 83, 2166-2172.

234. Light Activated Chemical Probing of Nucleobase Solvent Accessibility Inside Cells
Feng, C.; Chan, D.; Joseph, J.; Muuronen, M.; Coldren, W. H.; Dai, N.; Corrêa, I. R., Jr.; Furche, F.; Hadad, C. M.; Spitale, R. C.
Nature Chemical Biology 20184, 276-283.

233. Photolysis- and Dissolved Organic Matter-Induced Toxicity of Triclocarbon to Daphnia magna
Albanese, K. A.; Lanno, R. P.; Hadad, C. M.; Chin Y.-P.
Environ. Sci. Technol. Lett. 2017, 4, 457-462.

232. Anion-Redox Mechanism of MoO(S2)2(2,2′-bipyridine) for Electrocatalytic Hydrogen Production
Garrett, B. R.; Polen, S. M.; Pimplikar, M.; Hadad, C.M.; Wu, Y.
J. Am. Chem Soc. 2017, 139, 4342-4345.

231. Electron Transfer Kinetics of a Series of Bilayer Triphenylamine-Oligothiophene-Perylenemonoimide Sensitizers for Dye-Sensitized NiO
Yu, Y.; Click, K. A.; Polen, S. M.; He, M.; Hadad, C. M.; Wu, Y.
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
Zhiquan, L.; Polen, S. M.; Hadad, C. M.; RajanBabu, T.V.; Badjic, J. D.
Org. Lett. 2017, 19, 4932-4935.

229. Hypercoordinate Iodine Catalysts in Enantioselective Transformation: The Role of Catalyst Folding in Stereoselectivity
Sreenithya, A.; Patel, C.; Hadad, C.M.; Sunoj, R.B.
ACS Catal. 2017, 7, 4189-4196.

228. Study of para-Quinone Methide Precursors toward the Realkylation of Aged Acetylcholinesterase
Yoder, R. J.;  Zhuang, Q.; Beck, J. M.; Franjesevic, A.; Blanton, T. G.; Sillart, S.; Secor, T.; Guerra, L.; Brown, J. D.; Reid, C.; McElroy, C. A.; Doğan Ekici, Ö.; Callam, C. S.; Hadad, C.M.  ACS Med. Chem. Lett. 2017, 8, 622-627.

227. Isoproturon Reappearance after Photosensitized Degradation in the Presence of Triplet Ketones or Fulvic Acids
Yuan, C.; Chakraborty, M.; Canonica, S.; Weavers, L. K.; Hadad, C. M.; Chin, Y.-P.
Environ. Sci. Technol.  2016, 50, 12250-12267.

226. [MoO(S2)2L]1-(L= picolinate or pyrimidine-2-carboxylate) Complexes as MoSx Inspired Electrocatalysts for Hydrogen Production in Aqueous Solution
Garrett, B. R.; Click, K. A.; Durr, C. B.; Hadad, C.M.; Wu, Y.
J. Am. Chem. Soc. 2016, 136, 13726–13731.

225.  Assembly and Folding of Twisted Baskets in Organic Solvents
Pratumyot, Y.; Chen, S.; Hu, L.; Polen, S. M.; Hadad, C. M.; Badjic, J. D.
Org. Lett. 2016, 18, 4238-4241.

224. Dimeric FeFe-Hydrogenase Mimics Bearing Carboxylic Acids: Synthesis and Electrochemical Investigation
Garrett, B. R.; Awad, A.; He, M.; Click, K. A.; Durr, C. B.; Gallucci, J. C.; Hadad, C. M.; Wu, Y.
Polyhedron. 2016, 103, 21-27.

223.  Efforts Toward Treatments Against Aging of Organophosphorus-inhibited Acetylcholinesterase
Zhuang, Q.; Young, A.; Callam, C. S.; McElroy, C. A.; Doğan Ekici, Ö.; Yoder, R. J.; Hadad, C.M.
Ann. N. Y. Acad. Sci. 2016, 120, 7294-7300.

222. Improved Flavin-Based Catalytic Photooxidation of Alcohols through Intersystem Crossing Rate Enhancement 
Korvinson, K. A.; Hargenrader, G. N.; Stevanovic, J.; Xie, Y.; Joseph, J.; Maslak, V.;          Hadad, C. M.; Glusac, K. D.
J. Phys. Chem. A. 20161374, 94-104.

221.  Pourbaix Diagrams in Weakly Coupled Systems: A Case Study Involving Acridinol and Phenanthridinol Pseudobases
Walpita, J.; Yang, X.; Khatmullin, R.; Luk, H. L.; Hadad, C.M.; Glusac, K. D.
J. Phys. Org. Chem. 2016, 29, 204-208.

220.  Russian Nesting Doll Complexes of Molecular Baskets and Zinc Containing TPA Ligands
Zhiquan, L.; Polen, S.; Hadad, C. M.; RajanBabu, T. V.; Badjic, J. D.
J. Am. Chem. Soc. 2016138, 8253-8258.

219. Tunable Molecular MoS2 Edge-Site Mimics for Catalytic Hydrogen Production
Garrett, B. R.; Polen, S. M.; Click, K. A.; He, M.;Huang, Z.; Hadad, C. M.; Wu, Y.
Inorg. Chem. 2016, 55, 3960−3966.

218. Two-Dimensional Supramolecular Polymers Embodying Large Unilamellar Vesicles in Water
Chen, S.; Polen, S. M.; Wang, L.; Makoto, Y.; Hadad C.M.; Badjic, J.D.
J. Am. Chem. Soc. 2016, 138, 11312-11317.

217. Dimeric [Mo2S12]2- Cluster: A Molecular Analogue of MoS2 Edges for Superior Hydrogen-Evolution Electrocatalysis
Huang Z.; Luo, W.; Ma, L.; Yu, M.; Ren, X.; He, M.; Polen, S.; Click, K.; Garrett, B.; Lu, J.;  Amine, K.; Hadad, C.; Chen, W.; Asthagiri, A.; Wu, Y.
Angew. Chem., Int. Ed. Engl. 2015, 54, 15181-15185.

216. On the Transfer of Chirality, Thermodynamic Stability, and Folding Characteristics of Stereoisomeric Gated Baskets
Hu, L.; Polen, S.; Hardin, A.; Pratumyot, Y.; Hadad C.M.; Badjic, J.D.
Eur. J. Org. Chem. 2015, 31, 6832-6840.

215. Dual-Cavity Basket Promotes Encapsulation in Water in an Allosteric Fashion
Chen, S.; Yamasaki, M.; Polen, S.; Gallucci, J.; Hadad C.M.; Badjic, J.D.
J. Am. Chem. Soc. 2015, 38, 12276-12281.

214. The Ubiquitous Assembly of Amphiphilic Baskets into Unilamellar Vesicles and Their Recognition Characteristics
Ruan, Y.; Chen, S.; Brown, J. D.; Hadad, C. M.; Badjic, J. D.
Org. Lett. 201517, 852–855.

213. Gated Molecular Baskets
Hermann, K.; Ruan, Y.; Hardin, A. M.; Hadad, C. M.; Badjic, J. D.
Chem. Soc. Rev. 201544, 500–514.

212. A Double-Acceptor as a Superior Organic Dye Design for p-Type DSSCs: High Photocurrents and the Observed Light Soaking Effect
Click, K. A.; Beauchamp, D. R.; Garrett, B. R.; Huang, Z.; Hadad, C. M.; Wu, Y.
Phys. Chem. Chem. Phys. 201416, 26103–26111.

211. Recognition Characteristics of an Adaptive Vesicular Assembly of Amphiphilic Baskets for Selective Detection and Mitigation of Toxic Nerve Agents
Chen, S.; Ruan, Y.; Brown, J. D.; Hadad, C. M.; Badjic, J. D.
J. Am. Chem. Soc. 2014136,  17337–17342.

210. Structure-Based Optimization of a Peptidyl Inhibitor against Calcineurin-Nuclear Factor of Activated T Cell (NFAT) Interaction
Qian, Z.; Dougherty, P. G.; Liu, T.; Oottikkal, S.; Hogan, P. G.; Hadad, C. M.; Pei, D.
J. Med. Chem. 201457, 7792–7797.

209. Mechanistic Studies of Electrode-Assisted Catalytic Oxidation by Flavinium and Acridinium Cations
Yang, X.; Walpita, J.; Mirzakulova, E.; Oottikkal, S.; Hadad, C. M.; Glusac, K. D.
ACS Catal. 20144, 2635–2644.

208. Urea-Catalyzed N-H Insertion-Arylation Reactions of Nitrodiazoesters
So, S. S.; Oottikkal, S.; Badjic, J. D.; Hadad, C. M.; Mattson, A. E.
J. Org. Chem. 201479, 4832–4842.

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. 201450, 9086–9089.

206. Trapping of Organophosphorus Chemical Nerve Agents in Water with Amino Acid Functionalized Baskets
Ruan, Y.; Dalkilic, E.; Peterson, P. W.; Pandit, A.; Dastan, A.; Brown, J. D.; Polen, S. M.; Hadad, C. M.; Badjic, J. D.
Chem. Eur. J. 201420, 4251–4256.

205. Concomitant Nitrene and Carbene Insertion Accompanying Ring Expansion: Spectroscopic, X-Ray, and Computational Studies
Kaur, D.; Luk, H. L.; Coldren, W.; Srinivas, P. M.; Sridhar, L.; Prabhakar, S.; Raghunathan, P.; Guru Row, T. N.; Hadad, C. M.; Platz, M. S.; Eswaran, S. V.
J. Org. Chem. 2014, 79, 1199–1205.

204.  Computational Methods for the Study of Carbenes and Their Excited States
Luk, H. L.; Vyas, S.; Hadad, C. M.                                                                                                                      Contemporary Carbene Chemistry. Wiley Series of Reactive Intermediates in Chemistry and Biology. John Wiley & Sons, Inc. Hoboken, NJ. 2014, Vol. 7,  107–130.

203. The Assembly of Amphiphilic Baskets into Stimuli-Responsive Vesicles. Developing a Strategy for the Detection of Organophosphorus Chemical Nerve Agents
Chen, S.; Ruan, Y.; Brown, J. D.; Gallucci, J.; Maslak, V.; Hadad, C. M.; Badjic, J. D.
J. Am. Chem. Soc. 2013135, 14964–14967.

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. 201311, 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
Bao, X.; Nie, X.; von Deak, D.; Biddinger, E. J.; Luo, W.; Asthagiri, A.; Ozkan, U. S.;           Hadad, C. M.
Topics in Catalysis 201356, 1623–1633.

200. Towards Organic Photohydrides: Excited-state Behavior of 10-Methyl-9-phenyl-9, 10-dihydroacridine
Yang, X.; Walpita, J.; Zhou, D.; Luk, H. L.; Vyas, S.; Khnayzer, R. S.; Tiwari, S. C.; Diri, K.; Hadad, C. M.; Castellano, F. N.; Krylov, A. I.; Glusac, K. D.
J. Phys. Chem. B 2013117, 15290–15296.

199. The photochemistry of 4,5-Carbomethoxy-1,2,3-thiadiazole: Direct Observation of Thiirene Formation and its Decay in Solution
Burdzinzki, G.; Luk, H. L.; Reid, C. S.; Zhang, Y.; Hadad, C. M.; Platz, M. S.
J. Phys. Chem. A 2013117, 4551–4555.

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
Ruan, Y.; Taha, H. A.; Yoder, R. J.; Maslak, V.; Hadad, C. M.; Badjic, J. D.
J. Phys. Chem. B 2013117, 3240–3249.

197. A Method for the Preparation of Derivatives of Heptiptycene: Toward Dual-Cavity Baskets
Hermann, K.; Sardini, S.; Ruan, Y.; Yoder, R. J.; Chakraborty, M.; Vyas, S.; ; Hadad, C. M.; Badjic, J. D.
J. Org. Chem. 201378, 2984–2991.

196. Specificity Profiling of Dual Specificity Phosphatase Vaccinia VH1-related (VHR) Reveals Two Distinct Substrate Binding Modes
Luechapanichkul, R.; Chen, X.; Taha, H. A.; Vyas, S.; Guan, X.; Freitas, M. A.; Hadad, C. M.; Pei, D.
J. Biol. Chem. 2013288, 6498–6510.

195. The Entrapment of Chiral Guests with Gated Baskets. Can a Kinetic Discrimination of Enantiomers be Governed via Gating?
Wang, B. Y.; Stojanovic, S.; Turner, D. A.; Young, T. L.; Hadad, C. M.; Badjic, J. D.
Chem. Eur. J. 201319, 4767–4775.

194. Mechanistic Aspects of Ketene Formation Deduced from Femtosecond Photolysis of Diazocyclohexadienone, o-Phenylene Thioxocarbonate and 2-Chlorophenol 
Burdzinski, G.; Kubicki, J.; Sliwa, M.; Réhault, J.; Zhang, Y.; Vyas, S.; Luk, H. L.; Hadad, C. M.; Platz, M. S.
J. Org. Chem. 201378, 2026–2032.

193. Aminoacyl-tRNA Substrate and Enzyme Backbone Atoms Contribute to Translational Quality Control by YbaK
Kumar, S.; Das, M.; Hadad, C. M.; Musier-Forsyth, K.
J. Phys. Chem. B 2013117, 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. 201378, 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. 20128, 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 20124, 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. 2012134, 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. 201225, 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. 2012131, 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. 201223, 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 2012116, 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. 201225, 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. 201218, 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. 201277, 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. 2012134, 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 2012116, 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. 201248, 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. 201277, 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. 2012287, 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., 20128, 90–99.

175. Charge Competition in Halogenated Hydrocarbons
Gross, K. C.; Hadad, C. M.; Seybold, P. G.
Int. J. Quant. Chem. 2012112, 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. 2011133, 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. 2011286, 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 2011115, 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 2011374, 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. 2011133, 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. 201117, 8870–8881.

168. Controlling Dynamic Stereoisomerism in Transition-Metal Folded Baskets
Stojanovic, S.; Turner, D. A.; Hadad, C. M.; Badjic, J. D.
Chem. Sci. 20112, 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. 2010132, 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. 2011141, 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 2010114, 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. 201046, 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 2010114, 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 2010187, 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 2010114, 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. 201049, 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. 201075, 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 2010187, 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. 201023, 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. 201023, 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. 2010132, 773–776.

153. Photochemical Fate of Sulfadimethoxine in Aquaculture Waters
Guerard, J. J.; Chin, Y.-P.; Mash, H.; Hadad, C. M.
Environ. Sci. Technol. 200943, 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. 2009131, 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. 2009131, 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. 200922, 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. 2009131, 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 2009113, 12558–12565.

147. Electronic Properties of 4-Substituted Naphthalimides
Kucheryavy, P.; Li, Guifeng; Vyas, S.; Hadad, C. M.; Glusac, K.
J. Phys. Chem. A 2009113, 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. 200948, 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 2009113, 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. 200810, 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. 2008130, 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 200965, 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. 200873, 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. 2008130, 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 2008112, 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. 200873, 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. 200810, 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. 200943, 79–134.

134. Reactivation of Model Cholinesterases by Oximes and Intermediate Phosphyloximes: A Computational Study
Vyas, S.; Hadad, C. M.
Chemico-Biological Interactions 2008175, 187–191.

133. Hydrolysis of Nerve Agents by Model Nucleophiles: A Computational Study
Beck, J. M.; Hadad, C. M.
Chemico-Biological Interactions 2008175, 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 2008112, 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. 200819, 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. 200717, 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. 200772, 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. 200873, 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 2007111, 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. 200772, 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. 20079, 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 200746, 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. 200772, 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. 200645, 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 2007307, 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 2007111, 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. 2007112, 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 2006110, 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. 2006341, 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. 200671, 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. 2006128, 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. 200671, 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. 2006128, 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. 200718, 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. 200671, 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 2006110, 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. 2006128, 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. 200612, 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 2006110, 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 2006110, 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. 2005127, 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. 2005127, 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 2005109, 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 2005109, 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. 2005127, 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. 2005127, 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 2005109, 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. 2005127, 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 200536, 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 2005109, 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 2005109, 2547–2551.

91. The Reaction of Triplet Nitrenes with Oxygen: A Computational Study
Liu, J.; Hadad, C. M.; Platz, M. S.
Org. Lett. 20057, 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 2005109, 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 2005109, 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 2005109, 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. 200570, 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. 200469, 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. 200469, 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 2004108, 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. 200443, 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. 2004126, 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 200437, 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. 2004126, 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. 2003125, 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 200424, 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 200322, 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. 200325, 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. 200322, 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. 200316, 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 200344, 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 200344, 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. 2003125, 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 2003107, 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 2003107, 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 200359, 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 2003107, 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. 2002124, 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. 200290, 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. 2002124, 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. 2002117, 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 2002106, 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. 200141, 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. 200267, 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. 2002124, 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 2002106, 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. 200267, 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. 200267, 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. 200267, 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., 200275, 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. 2002124, 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. 200290, 445–458.

48. A Computational Study of Cyclopropylnitrene
Tsao, M.-L.; Hadad, C. M.; Platz, M. S.
Tetrahedron Lett. 200243, 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. 2002124, 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. 2002124, 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. 2001123, 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 2001105, 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. 2001123, 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. 2001123, 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 2000104, 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. 200065, 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 2001105, 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 2000104, 8121–8130.

35. The Rearrangement Pathways of Arylperoxy Radicals. 2. The Five-Membered Heterocycles
Fadden, M. J.; Hadad, C. M.
J. Phys. Chem. A 2000104, 6324–6331.

34. The Rearrangement Pathways of Arylperoxy Radicals. 1. The Azabenzenes
Fadden, M. J.; Hadad, C. M.
J. Phys. Chem. A 2000104, 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. 200011, 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. 2000122, 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 2000104, 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 2000104, 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. 200033, 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 2000104, 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. 200065, 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. 200013, 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 199911, 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. 1999121, 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 1999103, 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. 199964, 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 1999103, 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. 1999121, 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. 1999121, 491–500.

18. Computational Studies of Halonium Ions of Cyclohexane and Cyclopentane
Damrauer, R.; Leavell, M. D.; Hadad, C. M.
J. Org. Chem. 199863, 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. 199863, 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. 1997119, 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. 1997119, 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. 199397, 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. 1993115, 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. 199358, 2830–2839.

10. Excited States of Carbonyl Compounds. I. Formaldehyde and Acetaldehyde
Hadad, C. M.; Foresman, J. B.; Wiberg, K. B.
J. Phys. Chem. 199397, 4293–4312.

9. Electronically Excited States of Ethylene
Wiberg, K. B.; Hadad, C. M.; Foresman, J. B.; Chupka, W. A.
J. Phys. Chem. 199296, 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. 1992114, 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. 1992114, 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. 199296, 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. 199156, 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 1991252, 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. 1991113, 4782–4791.

2. Interrelationships among Heats of Formation and Molecular Mechanics Steric Energies
Hadad, C. M.; Damewood, J. R., Jr.; Liebman, J. F.
Tetrahedron 198945, 1623–1632.

1. Pyramidal Inversion in Silyl Anions
Damewood, J. R., Jr.; Hadad, C. M.
J. Phys. Chem. 198892, 33–36.