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Journal of Molecular Modeling|January 12, 2013
Microsolvation of Mg²⁺, Ca²⁺: strong influence of formal charges in hydrogen bond networksJuan David Gonzalez, Elizabeth Florez, Jonathan Romero, et al.Journal of Molecular Modeling|January 12, 2013
Computational investigation of carbon dioxide absorption in alkanolamine solutionsHidetaka Yamada, Yoichi Matsuzaki, Firoz Chowdhury, et al.Journal of Molecular Modeling|December 11, 2012
Exohedral and endohedral adsorption of alkaline earth cations in BN nanoclusterJavad Beheshtian, Mohammad Bigdeli Tabar, Zargham Bagheri, et al.Journal of Molecular Modeling|December 12, 2012
An intermediate level of approximation for computing the dual descriptorJorge Ignacio Martínez-ArayaJournal of Molecular Modeling|December 20, 2012
Accuracy of color prediction of anthraquinone dyes in methanol solution estimated from first principle quantum chemistry computationsPiotr Cysewski, Tomasz JelińskiJournal of Molecular Modeling|January 15, 2013
Homology model of nonmuscle myosin heavy chain IIA and binding mode analysis with its inhibitor blebbistatinYanni Lv, Shuai Lu, Tao Lu, et al.Journal of Molecular Modeling|January 15, 2013
Quantum chemical study of silanediols as metal binding groups for metalloprotease inhibitorsIgor S Ignatyev, Manuel Montejo, Pilar Gema Rodríguez Ortega, et al.Journal of Molecular Modeling|January 19, 2013
Study of deformation and shape recovery of NiTi nanowires under torsionCheng-Da Wu, Po-Hsien Sung, Te-Hua FangJournal of Molecular Modeling|December 25, 2012
Probing the structural, electronic and magnetic properties of multicenter Fe₂S₂⁰/⁻, Fe₃S₄⁰/⁻ and Fe₄S₄⁰/⁻ clustersLi-Ping Ding, Xiao-Yu Kuang, Peng Shao, et al.Journal of Molecular Modeling|December 29, 2012
Comparative study on electronic structures and optical properties of indoline and triphenylamine dye sensitizers for solar cellsCai-Rong Zhang, Li Liu, Jian-Wu Zhe, et al.Pageof 708