Browsing by Author Raghavachari, Krishnan

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Issue DateTitleAuthor(s)Citation
2013Evaluation of the Heats of Formation of Corannulene and C(60) by Means of High-Level Theoretical ProceduresChan, Bun; Karton, Amir; Radom, Leo; Raghavachari, Krishnan; Chemistry; Chemistry; ChemistryEvaluation of the Heats of Formation of Corannulene and C(60) by Means of High-Level Theoretical Procedures, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.117, 8, 2013,pp 1834-1842
2012Heats of formation for CrO, CrO(2), and CrO(3): An extreme challenge for black-box composite proceduresChan, Bun; Karton, Amir; Radom, Leo; Raghavachari, Krishnan; Chemistry; Chemistry; ChemistryHeats of formation for CrO, CrO(2), and CrO(3): An extreme challenge for black-box composite procedures, Journal of Chemical Theory and Computation, vol.8, 9, 2012,pp 3159-3166
2016Restricted-Open-Shell G4(MP2)-Type ProceduresRadom, Leo; Chan, Bun; Karton, Amir; Raghavachari, Krishnan; ChemistryRestricted-Open-Shell G4(MP2)-Type Procedures, The Journal of Physical Chemistry A, vol.120, 46, 2016,pp 9299-9304