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1

Silabenzene through divalent precursors at theoretical levels

Mohammad Zaman Kassaee, Farnaz Alipour Shakib, Mohammad Reza Momeni, Mehdi Ghambarian, Seyed Majid Musavi

Journal:

Monatshefte für Chemie - Chemical Monthly

Année:

2009

Langue:

english

Fichier:

PDF, 414 KB

english, 2009

2

New Generation of Dialkylsilylenes with Stabilities Comparable to Diaminosilylenes: A Theoretical Study

Momeni, Mohammad R., Shakib, Farnaz A., Azizi, Zahra

Journal:

Journal of Physical Chemistry A

Année:

2011

Langue:

english

Fichier:

PDF, 2.30 MB

english, 2011

3

Investigations of Model Proton-Coupled Electron Transfer Reactions from a Mixed Quantum-Classical Liouville Perspective

Shakib, Farnaz, Hanna, Gabriel

Journal:

Biophysical Journal

Année:

2014

Langue:

english

Fichier:

PDF, 38 KB

english, 2014

4

Theoretical Description of Triplet Silylenes Evolved from H 2 Si═Si

Momeni, Mohammad R., Shakib, Farnaz A.

Journal:

Organometallics

Année:

2011

Langue:

english

Fichier:

PDF, 1.09 MB

english, 2011

5

[ n ]Imperilenes: Stacked [ n ]Trannulenes Separated by Planar Cycloalkane Rings

Shakib, Farnaz A., Momeni, Mohammad R., Wu, Judy I., Schleyer, Paul von Ragué, Azizi, Zahra, Ghambarian, Mehdi

Journal:

Organic Letters

Année:

2011

Langue:

english

Fichier:

PDF, 631 KB

english, 2011

6

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

Shakib, Farnaz A., Hanna, Gabriel

Journal:

The Journal of Chemical Physics

Année:

2014

Langue:

english

Fichier:

PDF, 1.38 MB

english, 2014

7

Toward unsaturated stannylenes Y 2 ZSn: and related compounds with triplet electronic ground states

Bundhun, Ashwini, Momeni, Mohammad R., Shakib, Farnaz A., Ramasami, Ponnadurai, Gaspar, Peter P., Schaefer III, Henry F.

Journal:

Année:

2016

Langue:

english

Fichier:

PDF, 3.46 MB

english, 2016

8

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

Shakib, Farnaz, Hanna, Gabriel

Journal:

Journal of Chemical Theory and Computation

Année:

2016

Langue:

english

Fichier:

PDF, 601 KB

english, 2016

9

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

Shakib, Farnaz A., Hanna, Gabriel

Journal:

The Journal of Chemical Physics

Année:

2016

Langue:

english

Fichier:

PDF, 1.90 MB

english, 2016

10

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

Shakib, Farnaz A., Huo, Pengfei

Journal:

The Journal of Physical Chemistry Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.63 MB

english, 2017

11

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

Mandal, Arkajit, Shakib, Farnaz A., Huo, Pengfei

Journal:

The Journal of Chemical Physics

Année:

2018

Langue:

english

Fichier:

PDF, 1.47 MB

english, 2018

12

Disentangling Coupling Effects in the Infrared Spectra of Liquid Water

Hunter, Kelly Marie, Shakib, Farnaz Alipour, Paesani, Francesco

Journal:

Journal of Physical Chemistry B

Année:

2018

Langue:

english

Fichier:

PDF, 1.50 MB

english, 2018

13

Quasi Diabatic Propagation Scheme for Direct Simulation of Proton-Coupled Electron Transfer Reaction

Mandal, Arkajit, Sandoval, Juan Sebastian, Shakib, Farnaz Alipour, Huo, Pengfei

Journal:

Journal of Physical Chemistry A

Année:

2019

Langue:

english

Fichier:

PDF, 4.20 MB

english, 2019

14

Optimal Separation of CO 2 /CH 4 /Brine With Amorphous Kerogen: A Thermodynamics and Kinetics Study

Lee, Hyeonseok, Shakib, Farnaz Alipour, Shokouhimehr, Mohammadreza, Bubach, Bailey, Kong, Lingyun, Ostadhassan, Mehdi

Journal:

The Journal of Physical Chemistry C

Année:

2019

Langue:

english

Fichier:

PDF, 1.87 MB

english, 2019

15

Adsorption based realistic molecular model of amorphous kerogen

Lee, Hyeonseok, Shakib, Farnaz A., Liu, Kouqi, Liu, Bo, Bubach, Bailey, Varma, Rajender S., Jang, Ho Won, Shokouhimher, Mohammadreza, Ostadhassan, Mehdi

Journal:

Année:

2020

Fichier:

PDF, 1.63 MB

2020

16

Water-Induced Structural Transformations in Flexible Two-Dimensional Layered Conductive MetalâOrganic Frameworks

Shi, Yuliang, Momeni, Mohammad R., Chen, Yen-Jui, Zhang, Zeyu, Shakib, Farnaz A.

Journal:

Chemistry of Materials

Année:

2020

Fichier:

PDF, 2.56 MB

2020