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Journal of Molecular Modeling|April 3, 2014
Effect of stepwise microhydration on the guanidinium···π interactionAna A Rodríguez-Sanz, Enrique M Cabaleiro-Lago, Jesús Rodríguez-OteroJournal of Molecular Modeling|April 3, 2014
Adsorption of HCN on reduced graphene oxides: a first-principles studyMeilian Zhao, Feng Yang, Ying Xue, et al.Journal of Molecular Modeling|March 26, 2014
Acidity in DMSO from the embedded cluster integral equation quantum solvation modelJochen Heil, Daniel Tomazic, Simon Egbers, et al.Journal of Molecular Modeling|March 20, 2014
Theoretical insight on novel donor-acceptor exTTF-based dyes for dye-sensitized solar cellsJoaquín Calbo, Pedro M Viruela, Enrique OrtíJournal of Molecular Modeling|March 21, 2014
Mutations in herpes simplex virus gD protein affect receptor binding by different molecular mechanismsJoachim D Stump, Heinrich StichtJournal of Molecular Modeling|March 21, 2014
Theoretical study of oxidation of monovacancies in hexagonal boron nitride (h-BN) sheet by oxygen moleculesJing-wen Feng, Jing-xiang ZhaoJournal of Molecular Modeling|February 8, 2017
Polaron and bipolaron stability on paraphenylene polymersMaurício Bellissimo Falleiros, Geraldo Magela E SilvaJournal of Molecular Modeling|February 10, 2017
A density functional theory investigation of the interaction of the tetraaqua calcium cation with bidentate carbonyl ligandsDaniel Garcez S Quattrociocchi, Marcos Vinicius Monsores Meuser, Glaucio Braga Ferreira, et al.Journal of Molecular Modeling|February 6, 2017
Reactivity of phosphorene with a 3d element trioxide (CrO3) considering van der Waals molecular interactions: a DFT-D2 studyPamela Rubio-Pereda, Gregorio H CocoletziJournal of Molecular Modeling|February 6, 2017
A joint theoretical and experimental characterization of two acene-thiophene derivativesLeonardo Evaristo de Sousa, Arthur Akira Mamiya, Jakob Kjelstrup-Hansen, et al.Pageof 695