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Journal of Computational Chemistry|July 21, 2015
Ab initio/GIAO-CCSD(T) (13)C NMR study of the rearrangement and dynamic aspects of rapidly equilibrating tertiary carbocations, C6H13(+) and C7H15(+)George A Olah, G K Surya Prakash, Golam RasulJournal of Computational Chemistry|July 22, 2015
Projected CAP/SAC-CI method with smooth Voronoi potential for calculating resonance statesMasahiro Ehara, Ryoichi Fukuda, Thomas SommerfeldJournal of Computational Chemistry|June 5, 2015
The Reaction between Bromine and the Water Dimer and the Highly Exothermic Reverse ReactionGuoliang Li, Hui Wang, Qian-Shu Li, et al.Journal of Computational Chemistry|June 17, 2015
Accurately modeling nanosecond protein dynamics requires at least microseconds of simulationGregory R BowmanJournal of Computational Chemistry|June 23, 2015
Accounting for observed small angle X-ray scattering profile in the protein-protein docking server ClusProBing Xia, Artem Mamonov, Seppe Leysen, et al.Journal of Computational Chemistry|February 8, 2018
Pressure tensor for electrostatic interaction calculated by fast multipole method with periodic boundary conditionNoriyuki Yoshii, Yoshimichi Andoh, Susumu OkazakiJournal of Computational Chemistry|January 23, 2018
A Noncovalent Binding Strategy to Capture Noble Gases, Hydrogen and NitrogenCherumuttathu H Suresh, Neetha Mohan, Therese Davis DellaJournal of Computational Chemistry|January 10, 2018
Hydrogen bonding in the mixed HF/HCl dimer: Is it better to give or receive?Sarah N Johnson, Gregory S TschumperJournal of Computational Chemistry|January 12, 2018
Serenity: A subsystem quantum chemistry programJan P Unsleber, Thomas Dresselhaus, Kevin Klahr, et al.Journal of Computational Chemistry|January 12, 2018
Predicting reduction potentials of 1,3,6-triphenyl fulvenes using molecular electrostatic potential analysis of substituent effectsBai Amutha Anjali, Cherumuttathu H SureshPageof 598