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Journal of Molecular Modeling|December 8, 2017
Theoretical studies of the decomposition mechanisms of 1,2,4-butanetriol trinitrateLiguan Pei, Kehai Dong, Yanhui Tang, et al.Journal of Molecular Modeling|December 9, 2017
Stability and donor-acceptor bond in dinuclear organometallics CpM1-M2Cl3 (M1, M2 = B, Al, Ga, In; Cp = η 5-C5H5)Yaru Dang, Lingpeng Meng, Mei Qin, et al.Journal of Molecular Modeling|December 14, 2017
Geometry optimization of zirconium sulfophenylphosphonate layers by molecular simulation methodsJakub Škoda, Miroslav Pospíšil, Petr Kovář, et al.Journal of Molecular Modeling|December 20, 2017
Are beryllium-containing biphenyl derivatives efficient anion sponges?Oriana Brea, Otilia Mó, Manuel Yáñez, et al.Journal of Molecular Modeling|November 17, 2017
Electrochemical and theoretical studies of the interactions of a pyridyl-based corrosion inhibitor with iron clusters (Fe15, Fe30, Fe45, and Fe60)Julian Cruz-Borbolla, Esteban Garcia-Ochoa, Jayanthi Narayanan, et al.Journal of Molecular Modeling|November 28, 2017
Effects of shape, size, and pyrene doping on electronic properties of graphene nanoflakesThanawit Kuamit, Manussada Ratanasak, Chompoonut Rungnim, et al.Journal of Molecular Modeling|October 25, 2017
Steered molecular dynamics simulation of the binding of the bovine auxilin J domain to the Hsc70 nucleotide-binding domainYou-Lin Xue, Lei Zhou, Yuna Sun, et al.Journal of Molecular Modeling|September 10, 2017
Computational study on acetophenone in amorphous polyethyleneShinya Iwata, Hiroaki Uehara, Tatsuo TakadaJournal of Molecular Modeling|October 17, 2017
Effect of single-residue bulges on RNA double-helical structures: crystallographic database analysis and molecular dynamics simulation studiesAngana Ray, Ankita Agarwal, Dhananjay BhattacharyyaJournal of Molecular Modeling|October 17, 2017
Band-gap engineering of halogenated silicon nanowires through molecular dopingFrancisco de Santiago, Alejandro Trejo, Alvaro Miranda, et al.Pageof 695