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The Journal of Physical Chemistry. B|July 26, 2006
Hafnium oxide and zirconium oxide atomic layer deposition: initial precursor and potential side-reaction product pathways with H/Si(100)-2 x 1Ryan D Fenno, Mathew D Halls, Krishnan RaghavachariThe Journal of Physical Chemistry. A|December 10, 2016
Restricted-Open-Shell G4(MP2)-Type ProceduresBun Chan, Amir Karton, Krishnan Raghavachari, et al.Inorganic Chemistry|August 21, 2018
Redox "Innocence" of Re(I) in Electrochemical CO2 Reduction Catalyzed by Nanographene-Re ComplexesRichard N Schaugaard, Krishnan Raghavachari, Liang-Shi LiThe Journal of Physical Chemistry. A|January 25, 2013
Evaluation of the heats of formation of corannulene and C60 by means of high-level theoretical proceduresAmir Karton, Bun Chan, Krishnan Raghavachari, et al.Journal of Chemical Theory and Computation|October 19, 2019
Coupling Constants, High Spin, and Broken Symmetry States of Organic Radicals: an Assessment of the Molecules-in-Molecules Fragmentation-Based MethodTumpa Sadhukhan, Daniel Beckett, Bishnu Thapa, et al.Journal of Chemical Theory and Computation|November 24, 2015
A Composite Energy Treatment for Sterically Hindered Cluster Models for the Si(100) SurfaceBenjamin C Gamoke, Nicholas J Mayhall, Krishnan RaghavachariThe Journal of Physical Chemistry. A|May 20, 2021
Interaction-Deletion: A Composite Energy Method for the Optimization of Molecular Systems Selectively Removing Specific Nonbonded InteractionsAnkur K Gupta, Benjamin C Gamoke, Krishnan RaghavachariThe Journal of Chemical Physics|March 25, 2010
ONIOM-based QM:QM electronic embedding method using Löwdin atomic charges: energies and analytic gradientsNicholas J Mayhall, Krishnan Raghavachari, Hrant P HratchianThe Journal of Chemical Physics|January 6, 2006
Assessment of Gaussian-3 and density-functional theories on the G3/05 test set of experimental energiesLarry A Curtiss, Paul C Redfern, Krishnan RaghavachariJournal of Chemical Theory and Computation|November 26, 2015
Heats of Formation for CrO, CrO2, and CrO3: An Extreme Challenge for Black-Box Composite ProceduresBun Chan, Amir Karton, Krishnan Raghavachari, et al.Pageof 16