List of works by Farnaz A. Shakib

An analysis of model proton-coupled electron transfer reactions via the mixed quantum-classical Liouville approach.

scientific article published in July 2014

Carbenes with reduced heteroatom stabilization: a computational approach.

scientific article published in April 2010

Deterministic role of structural flexibility on catalytic activity of conductive 2D layered metal-organic frameworks

scientific article published on 17 December 2020

Disentangling Coupling Effects in the Infrared Spectra of Liquid Water

scientific article published on 15 November 2018

Investigating photoinduced proton coupled electron transfer reaction using quasi diabatic dynamics propagation

scientific article published on 01 June 2018

Mixed Quantum-Classical Liouville Approach for Calculating Proton-Coupled Electron-Transfer Rate Constants.

scientific article

Modeling energy transfer and absorption spectra in layered metal–organic frameworks based on a Frenkel–Holstein Hamiltonian

scientific article published in 2022

New generation of dialkylsilylenes with stabilities comparable to diaminosilylenes: a theoretical study.

scientific article

New insights into the nonadiabatic state population dynamics of model proton-coupled electron transfer reactions from the mixed quantum-classical Liouville approach.

scientific article published in January 2016

Recent progress in approximate quantum dynamics methods for the study of proton-coupled electron transfer reactions

scientific article published on 24 December 2020

Ring Polymer Surface Hopping: Incorporating Nuclear Quantum Effects into Nonadiabatic Molecular Dynamics Simulations.

scientific article

[n]Imperilenes: stacked [n]trannulenes separated by planar cycloalkane rings

scientific article published on 13 June 2011

Paulina is supported by:

About Paulina

Help