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Journal of Computational Chemistry|June 15, 2016
Topological analysis of the electron delocalization rangeBenjamin G JaneskoJournal of Computational Chemistry|May 18, 2016
Multipole moments for embedding potentials: Exploring different atomic allocation algorithmsMorten S Nørby, Jógvan Magnus Haugaard Olsen, Jacob Kongsted, et al.Journal of Computational Chemistry|May 19, 2016
Multistate empirical valence bond study of temperature and confinement effects on proton transfer in water inside hydrophobic nanochannelsAmani Tahat, Jordi MartíJournal of Computational Chemistry|May 28, 2016
Assessing the accuracy of improved force-matched water models derived from Ab initio molecular dynamics simulationsAndreas Köster, Thomas Spura, Gábor Rutkai, et al.Journal of Computational Chemistry|May 28, 2016
Ranking protein-protein docking results using steered molecular dynamics and potential of mean force calculationsLaura J Kingsley, Juan Esquivel-Rodríguez, Ying Yang, et al.Journal of Computational Chemistry|June 1, 2016
Sodium chloride's effect on self-assembly of diphenylalanine bilayerJunpyo Kwon, Myeongsang Lee, Sungsoo NaJournal of Computational Chemistry|November 20, 2017
EXAT: EXcitonic analysis toolSandro Jurinovich, Lorenzo Cupellini, Ciro A Guido, et al.Journal of Computational Chemistry|December 8, 2017
Reverse mapping method for complex polymer systemsJakub Krajniak, Zidan Zhang, Sudharsan Pandiyan, et al.Journal of Computational Chemistry|November 23, 2017
Performance of density functionals for modeling vapor liquid equilibria of CO2 and SO2Himanshu Goel, Zachary W Windom, Amber A Jackson, et al.Journal of Computational Chemistry|December 15, 2017
Definitive thermochemistry and kinetics of the interconversions among conformers of n-butane and n-pentaneRoland Tóbiás, Attila G Császár, László Gyevi-Nagy, et al.Pageof 598