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Journal of Computational Chemistry|February 1, 2014
New accurate benchmark energies for large water clusters: DFT is better than expectedTony Anacker, Joachim FriedrichJournal of Computational Chemistry|March 5, 2014
Metalophilic interaction in gold halide: quantum chemical study of AuX (X = F-At)Xinying LiJournal of Computational Chemistry|April 4, 2019
A greener catalyst for hydroboration of imines-external electric field modify the reaction mechanismMing-Xia Zhang, Hong-Liang XuJournal of Computational Chemistry|March 5, 2019
RMSD and SymmetryEvangelos A Coutsias, Michael J WesterJournal of Computational Chemistry|March 5, 2019
U-shaped caveolin-1 conformations are tightly regulated by hydrogen bonds with lipidsSoohyung Park, Kerney J Glover, Wonpil ImJournal of Computational Chemistry|March 5, 2019
Making and breaking of small water clusters: A combined quantum chemical and molecular dynamics approachDhivya ManogaranJournal of Computational Chemistry|July 26, 2019
Force-field parametrization based on radial and energy distribution functionsShuntaro Chiba, Yasushi Okuno, Teruki Honma, et al.Journal of Computational Chemistry|July 14, 2019
Development of Nonbonded Models for Metal Cations Using the Electronic Continuum CorrectionAlexei Nikitin, Gianluca Del FrateJournal of Computational Chemistry|September 8, 2022
A molecular evolution algorithm for ligand design in DOCKLauren E Prentis, Courtney D Singleton, John D Bickel, et al.Journal of Computational Chemistry|September 28, 2022
Branched polyethyleneimine: CHARMM force field and molecular dynamics simulationsAndrada-Elena Terteci-Popescu, Titus Adrian BeuPageof 598