178. S. Hu, S. C. Sharma, A. D. Scouras, A. V. Soudackov, C. A. Marcus Carr, S. Hammes-Schiffer, T. Alber, and J.P. Klinman, “Extremely elevated room-temperature kinetic isotope effects quantify the critical role of barrier width in enzymatic C-H activation,” J. Am. Chem. Soc. 136, 8157-8160 (2014).
This author has yet to write their bio.Meanwhile lets just say that we are proud admin contributed a whooping 193 entries.
Entries by admin
177. B. H. Solis and S. Hammes-Schiffer, “Proton-coupled electron transfer in molecular electrocatalysis: Theoretical methods and design principles,” Inorg. Chem. 53, 6427-6443 (2014).
176. S. Ghosh, S. Horvath, A. V. Soudackov, and S. Hammes-Schiffer, “Electrochemical solvent reorganization energies in the framework of the polarizable continuum model,” J. Chem. Theory Comput. 10, 2091-2102 (2014).
175. J. P. Schwans, P. Hanoian, B. J. Lengerich, F. Sunden, A. Gonzalez, Y. Tsai, S. Hammes-Schiffer, and D. Herschlag, “Experimental and computational mutagenesis to investigate the positioning of a general base within an enzyme active site,” Biochemistry 53, 2541-2555 (2014).
174. C. A. Schwerdtfeger, A. V. Soudackov, and S. Hammes-Schiffer, “Nonadiabatic dynamics of electron transfer in solution: Explicit and implicit solvent treatments that include multiple relaxation time scales,” J. Chem. Phys. 140, 034113 (2014).
173. A. Ganguly, P. Thaplyal, E. Rosta, P. C. Bevilacqua, and S. Hammes-Schiffer, “Quantum mechanical/molecular mechanical free energy simulations of the self-cleavage reaction in the hepatitis delta virus ribozyme,” J. Am. Chem. Soc. 136, 1483-1496 (2014).
172. S. Chakraborty, J. Reed, M. Ross, M. J. Nilges, I. D. Petrik, S. Ghosh, S. Hammes-Schiffer, J. T. Sage, Y. Zhang, C. E. Schulz, and Y. Lu, “Spectroscopic and computational study of a nonheme iron nitrosyl center in a biosynthetic model of nitric oxide reductase,” Angew. Chem. Int. Ed. 53, 2417-2421 (2014).
171. J. P. Layfield and S. Hammes-Schiffer, “Hydrogen tunneling in enzymes and biomimetic models,” Chem. Rev. 114, 3466-3494 (2014).
170. P. Thaplyal, A. Ganguly, B. L. Golden, and S. Hammes-Schiffer, “Thio effects and an unconventional metal ion rescue in the genomic hepatitis delta virus ribozyme,” Biochemistry 52, 6499-6514 (2013).
169. C. Ko and S. Hammes-Schiffer, “Charge-transfer excited states and proton transfer in model guanine-cytosine DNA duplexes in water,” J. Phys. Chem. Lett. 4, 2540-2545 (2013).
John Gamble Kirkwood Professor of Chemistry
Sterling Chemistry Lab, Rm 215
Department of Chemistry
225 Prospect Street
New Haven, CT 06520-8107
Phone: (217) 300-0335
Fax: (217) 244-3186