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The Journal of Physical Chemistry. A|November 14, 2017
Computational Analysis of Transition Metal-Terminal Boride ComplexesYavuz S Ceylan, Thomas R CundariThe Journal of Physical Chemistry. A|January 8, 2019
Direct Anti-Markovnikov Addition of Water to Olefin To Synthesize Primary Alcohols: A Theoretical StudyYavuz S Ceylan, Thomas R CundariJournal of the American Chemical Society|September 29, 2017
Heterobimetallic Silver-Iron Complexes Involving Fe(CO)5 LigandsGuocang Wang, Yavuz S Ceylan, Thomas R Cundari, et al.Chemical Communications (Cambridge, England)|September 10, 2013
Chemical bonding involving d-orbitalsThomas R CundariInorganic Chemistry|September 23, 2017
Methane C-H Activation via 3d Metal Methoxide Complexes with Potentially Redox-Noninnocent Pincer Ligands: A Density Functional Theory StudyAhmad Najafian, Thomas R CundariPhysical Chemistry Chemical Physics : PCCP|August 4, 2021
Hydride- and halide-substituted Au9(PH3)83+ nanoclusters: similar absorption spectra disguise distinct geometries and electronic structuresYavuz S Ceylan, Rebecca L M GiesekingThe Journal of Physical Chemistry. A|August 28, 2019
Computational Mechanistic Study of Electro-Oxidation of Ammonia to N2 by Homogenous Ruthenium and Iron ComplexesAhmad Najafian, Thomas R CundariThe Journal of Physical Chemistry. A|October 7, 2020
DFT Calculations Investigate Competing Pathways to Form Dimeric Neopentylpalladium(II) Amido Complexes: The Critical Importance of DispersionQuan Jiang, Thomas R CundariInorganic Chemistry|September 26, 2017
Control of C-H Bond Activation by Mo-Oxo Complexes: pKa or Bond Dissociation Free Energy (BDFE)?Azadeh Nazemi, Thomas R CundariThe Journal of Physical Chemistry. A|June 27, 2017
Effect of Ancillary Ligands (A) on Oxidative Addition of CH4 to Rhenium(III) Complexes: A = B, Al, CH, SiH, N, and P Using MP2, CCSD(T), and MCSCF MethodsRiffat Parveen, Thomas R CundariPageof 21