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Journal of Molecular Modeling|May 30, 2020
Electric double layer formation and storing energy processes on graphene-based supercapacitors from electrical and thermodynamic perspectivesEudes Eterno FiletiJournal of Molecular Modeling|July 3, 2003
Molecular crystals: the crystal field effect on molecular electronic structureAlexandr V YatsenkoJournal of Molecular Modeling|July 3, 2003
A molecular mechanics and semiempirical molecular orbital study on the conformation of polynorbornene chainsSevil Savaşkan Yilmaz, Rza Abbasoğlu, Baki HazerJournal of Molecular Modeling|July 12, 2003
Bugs in computational chemistry software and their consequences: the importance of the source codeFrançois-Yves Dupradeau, Jacques RochetteJournal of Molecular Modeling|March 15, 2003
Fold prediction and comparative modeling of Bdm1: a probable alpha/beta hydrolase associated with hot water epilepsyAnirban Bhaduri, Lakshminarasimhan Krishnaswamy, Gautam R Ullal, et al.Journal of Molecular Modeling|May 21, 2003
WaterScore: a novel method for distinguishing between bound and displaceable water molecules in the crystal structure of the binding site of protein-ligand complexesAlfonso T García-Sosa, Ricardo L Mancera, Philip M DeanJournal of Molecular Modeling|November 17, 2018
A Feynman dispersion correction: a proof of principle for MNDOMaximilian Kriebel, Konstantin Weber, Timothy ClarkJournal of Molecular Modeling|March 18, 2008
The decomposition of alpha-aminophosphine oxides to phosphonic acid derivatives (PIII)Marek Doskocz, Szczepan Roszak, Roman GancarzJournal of Molecular Modeling|January 15, 2008
Design of benzene-1,2-diamines as selective inducible nitric oxide synthase inhibitors: a combined de novo design and docking analysisSandrea M Francis, Amit Mittal, Manishika Sharma, et al.Journal of Molecular Modeling|February 27, 2008
Vibrational spectral assignments of paraldehyde by ab initio and density functional methodsSethu Gunasekaran, Ramadoss Arunbalaji, Subramanian Kumaresan, et al.Pageof 698