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Journal of Computational Chemistry|January 20, 2017
Time-dependent density functional theory study on direction-dependent electron and hole transfer processes in molecular systemsPouya Partovi-Azar, Payam KaghazchiPhysical Chemistry Chemical Physics : PCCP|August 4, 2015
Evidence for the existence of Li2S2 clusters in lithium-sulfur batteries: ab initio Raman spectroscopy simulationPouya Partovi-Azar, Thomas D Kühne, Payam KaghazchiThe Journal of Chemical Physics|February 17, 2020
Optimized effective potentials to increase the accuracy of approximate proton transfer energy calculations in the excited statePouya Partovi-Azar, Daniel SebastianiMicromachines|July 2, 2021
Minimal Optimized Effective Potentials for Density Functional Theory Studies on Excited-State Proton DissociationPouya Partovi-Azar, Daniel SebastianiMicromachines|October 23, 2021
Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas PhasePouya Partovi-Azar, Thomas D KühneJournal of Computational Chemistry|September 25, 2015
Efficient "on-the-fly" calculation of Raman spectra from ab-initio molecular dynamics: Application to hydrophobic/hydrophilic solutes in bulk waterPouya Partovi-Azar, Thomas D KühneChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 29, 2021
On the Structure of Sulfur/1,3-Diisopropenylbenzene Co-Polymer Cathodes for Li-S Batteries: Insights from Density-Functional Theory CalculationsRana Kiani, Daniel Sebastiani, Pouya Partovi-AzarChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|July 10, 2019
In silico Complexes of Amino Acids and DiamondoidsPouya Partovi-Azar, Chandra Shekar Sarap, Maria FytaJournal of Physics. Condensed Matter : an Institute of Physics Journal|February 5, 2013
Theoretical studies of Li incorporation into Si(111)Payam KaghazchiJournal of Physics. Condensed Matter : an Institute of Physics Journal|August 31, 2013
Phase-sensitivity of Li intercalation into SnPayam KaghazchiPageof 7