Puja Goyal

Puja Goyal


Nonadiabatic Dynamics of Photoinduced Proton-Coupled Electron Transfer

goyalp@illinois.edu

(217) 300-1480

Ph.D in Physical Chemistry, 2013
University of Wisconsin-Madison, WI

M.Sc. in Chemistry, 2008
Indian Institute of Technology, Kharagpur, India

B.Sc. (Honors) in Chemistry, 2006
Presidency College, Kolkata, India

Publications

Role of active site conformational changes in photocycle activation of the AppA BLUF photoreceptor

221. P. Goyal and S. Hammes-Schiffer, “Role of active site conformational changes in photocycle activation of the AppA BLUF photoreceptor,” Proc. Nat. Acad. Sci. USA 114, 1480-1485 (2017).

Tuning the ultrafast dynamics of photoinduced proton-coupled electron transfer in energy conversion processes

218. P. Goyal and S. Hammes-Schiffer, “Tuning the ultrafast dynamics of photoinduced proton-coupled electron transfer in energy conversion processes,” ACS Energy Lett. 2, 512-519 (2017).

Assessing the potential effects of active site Mg2+ ions in the glmS ribozyme-cofactor complex

194. S. Zhang, D. R. Stevens, P. Goyal, J. L. Bingaman, P. C. Bevilacqua, and S. Hammes-Schiffer, “Assessing the potential effects of active site Mg2+ ions in the glmS ribozyme-cofactor complex,” J. Phys. Chem. Lett. 7, 3984-3988 (2016).

Proton quantization and vibrational relaxation in nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex

205. P. Goyal, C. A. Schwerdtfeger, A. V. Soudackov, and S. Hammes-Schiffer, “Proton quantization and vibrational relaxation in nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex,” J. Phys. Chem. B 120, 2407-2417 (2016).

Effect of Protonation upon Electronic Coupling in the Mixed Valence and Mixed Protonated Complex, [Ni(2,3-pyrazinedithiol)2]

204. S. Kennedy, P. Goyal, M. Kozar, H. Yennawar, S. Hammes-Schiffer, and B. Lear “Effect of protonation upon electron coupling in the mixed valence and mixed protonated complex, [Ni(2,3-pyrazinedithiol)2],” Inorg. Chem. 55, 1433-1445 (2016).

Role of solvent dynamics in photoinduced proton-coupled electron transfer in a phenol-amine complex in solution

195. P. Goyal and S. Hammes-Schiffer, “Role of solvent dynamics in photoinduced proton-coupled electron transfer in a phenol-amine complex in solution,” J. Phys. Chem. Lett. 6, 3515-3520 (2015).

Nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex

189. P. Goyal, C. A. Schwerdtfeger, A. V. Soudackov, and S. Hammes-Schiffer, “Nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex,” J. Phys. Chem. B 119, 2758-2768 (2015).

Role of the active site guanine in the glmS ribozyme self-cleavage mechanism: Quantum mechanical/molecular mechanical free energy simulations

188. S. Zhang, A. Ganguly, P. Goyal, J. Bingamin, P. C. Bevilacqua, and S. Hammes-Schiffer, “Role of the active site guanine in the glmS ribozyme self-cleavage mechanism: Quantum mechanical/molecular mechanical free energy simulations,”J. Am. Chem. Soc. 137, 784-798 (2015).