Vyas, Shubham - Colorado School of Mines

个人简介

BS - MLSU Udaipur MS - IIT Bombay PhD - The Ohio State University Postdoctoral Study - Colorado School of Mines

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Granum, D. M.; Vyas, S.; Sambasirao, S. V.; Maupin, C. M. “Computational Evaluations of Charge Coupling and Hydrogen Bonding in the Active Site of a Family 7 Cellobiohydrolase” J. Phys. Chem. B. 2014, 118, 434-448. Luk, H. L.; Vyas, S.; Hadad, C. M. “Computational Methods for the Study of Carbenes and Their Excited States” In Wiley Series on Reactive Intermediates in Chemistry and Biology (Contemporary Carbene Chemistry); Doyle, M. P., Moss, R. A., Eds. John Wiley and Sons Inc. 2014, 7, p. 107-130. Vyas, S.; Winter, A. H.; Hadad, C. M. “Computational Studies of Nitrenes and their Excited State Precursors” In Wiley Series on Reactive Intermediates in Chemistry and Biology (Nitrenes and Nitrenium Ions); Falvey, D. E., Gudmundsdottir, A. D., Eds. John Wiley and Sons Inc. 2013, 6, p. 33-76. Mirzakulova, E.; Khatmullin, R.; Walpita, K.; Corrigan, T.; Vargas-Barbosa, N. M.; Vyas, S.; Oottikkal, S.; Manzer, S. F.; Hadad, C. M.; Glusac, K. D. “Electrode-Assisted Catalytic Water Oxidation by N(5)-Ethyl-Flavinium Ion” Nature Chemistry 2012, 4, 794-801. Vyas, S.; Kubicki, J.; Luk, H. L.; Zhang, Y.; Gritsan, N. P.; Hadad, C. M.; Platz, M. S. “An Ultrafast Tine-Resolved IR and UV-vis Spectroscopic and Computational Study of the Photochemistry of Acyl Azides” J. Phys. Org. Chem. 2012, 25, 693-703. Xue, J.; Vyas, S.; Du, Y.; Luk, H. L.; Chuang, Y. P.; Mok, P. C.; But, T. Y. S.; Phillips, D. L.; Wang, J.; Winter, A.H.; Hadad, C. M.; Platz, M. S. “Time-Resolved Resonance Raman and Density Functional Theory Investigation of Influence of 4-Acetamido and 4-N-methylacetamido Substitutions on the Photochemical Fate of Phenylnitrene” J. Phys. Chem. A 2011, 115, 7521-7530. Kubicki, J.; Zhang, Y.; Vyas, S.; Burdzinski, G.; Luk, H. L.; Wang, J.; Xue, J.; Peng, H.-L.; Pritchina, E.; Silwa, M.; Buntinx, G.; Gritsan, N.; Hadad, C. M.; Platz, M. S. “Photochemistry of Acyl Azides. An Ultrafast Time-Resolved UV–Vis and IR Spectroscopic and Computational Study” J. Am. Chem. Soc. 2011, 133, 9751-9761. Vyas, S.; Muthukrishnan, S.; Kubicki, J.; McCulla, R.; Burdzinski, G; Siwa, M.; Platz, M. S.; Hadad, C. M. “Ultrafast Spectroscopy and Computational Study of the Photochemistry of Diphenylphosphoryl Azide: The First Direct Observation of Phosphorylnitrene” J. Am. Chem. Soc. 2010, 132, 16796-16804. Vyas, S.; Xia, S.; Zhang, J.; Hadad, C. M. “Butyrylcholinesterase and G116H, G116S, G117H, G117N, E197Q and G117H/E197Q Mutants: A Molecular Dynamics Study” Chem. Biol. Interact. 2010, 187, 241-245. Li, G.; Parimal, K.; Vyas, S.; Hadad, C. M.; Flood, A. H.; Glusac, K. D. “Pinpointing the Extent of Electronic Delocalization in the Re(I)-to-Tetrazine Charge-Separated Excited State Using Time-Resolved Infrared Spectroscopy” J. Am. Chem. Soc. 2009, 131, 11656-11657. Vyas, S.; Onchoke, K. K.; Hadad, C. M.; Dutta, P. K. “Optical Spectroscopic Studies of Mononitrated Benzo[a]pyrenes” J. Phys. Chem. A 2009, 113, 12558-12565. Kucheryavy, P.; Li, G.; Vyas, S.; Hadad, C. M.; Glusac, K. D. “Electronic Properties of 4-Substituted Naphthalimides” J. Phys. Chem. A 2009, 113, 6453-6461. Vyas, S.; Hadad C. M.; Modarelli, D. A. “A Computational Study of the Ground and Excited State Structure and Absorption Spectra of Free-Base N-Confused Porphyrins and Tetraphenylporphyrins” J. Phys. Chem. A 2008, 112, 6533-6549. Vyas, S.; Hadad, C. M. “Reactivation of Model Cholinesterases by Oximes and Intermediate Phosphyloximes: A Computational Study” Chem. Bio. Interact. 2008, 175, 187-191. Vyas, S.; Ali, Md. E.; Hossain, E.; Patwardhan, S.; Datta, S. N. “Theoretical Investigation of Intramolecular Magnetic Interaction through an Ethylenic Coupler” J. Phys. Chem. A Lett. 2005, 109, 4213-4215.