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Physical Chemistry Chemical Physics : PCCP|December 28, 2020
Recent progress in approximate quantum dynamics methods for the study of proton-coupled electron transfer reactionsSandra E Brown, Farnaz A Shakib
The Journal of Physical Chemistry Letters|June 21, 2017
Ring Polymer Surface Hopping: Incorporating Nuclear Quantum Effects into Nonadiabatic Molecular Dynamics SimulationsFarnaz A Shakib, Pengfei Huo
The Journal of Chemical Physics|August 3, 2014
An analysis of model proton-coupled electron transfer reactions via the mixed quantum-classical Liouville approachFarnaz A Shakib, Gabriel Hanna
The Journal of Chemical Physics|January 17, 2016
New insights into the nonadiabatic state population dynamics of model proton-coupled electron transfer reactions from the mixed quantum-classical Liouville approachFarnaz A Shakib, Gabriel Hanna
The Journal of Physical Chemistry Letters|September 21, 2023
Real-Time Dynamics and Detailed Balance in Ring Polymer Surface Hopping: The Impact of Frustrated HopsDil K Limbu, Farnaz A Shakib
The Journal of Chemical Physics|July 2, 2018
Investigating photoinduced proton coupled electron transfer reaction using quasi diabatic dynamics propagationArkajit Mandal, Farnaz A Shakib, Pengfei Huo
Chemical Communications (Cambridge, England)|December 17, 2020
Deterministic role of structural flexibility on catalytic activity of conductive 2D layered metal-organic frameworksMohammad R Momeni, Zeyu Zhang, Farnaz A Shakib
The Journal of Physical Chemistry. A|September 9, 2011
New generation of dialkylsilylenes with stabilities comparable to diaminosilylenes: a theoretical studyMohammad R Momeni, Farnaz A Shakib, Zahra Azizi
The Journal of Physical Chemistry. B|November 8, 2018
Disentangling Coupling Effects in the Infrared Spectra of Liquid WaterKelly M Hunter, Farnaz A Shakib, Francesco Paesani
Physical Chemistry Chemical Physics : PCCP|January 25, 2021
Gauging van der Waals interactions in aqueous solutions of 2D MOFs: when water likes organic linkers more than open-metal sitesMohammad R Momeni, Zeyu Zhang, David Dell'Angelo, et al.
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