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Journal of Molecular Modeling|December 6, 2012
Stability and electronic properties of 3D covalent organic frameworksBinit Lukose, Agnieszka Kuc, Thomas HeineJournal of Molecular Modeling|January 29, 2013
Sensing behavior of Al-rich AlN nanotube toward hydrogen cyanideJavad Beheshtian, Ali Ahmadi Peyghan, Zargham BagheriJournal of Molecular Modeling|January 1, 2013
Dynamic motion of La atom inside the C₇₄ (D₃h) cage: a relativistic DFT studyDongxu Tian, Suzhen Ren, Ce HaoJournal of Molecular Modeling|January 1, 2013
Cyano or o-nitrophenyl? Which is the optimal electron-withdrawing group for the acrylic acid acceptor of D-π-A sensitizers in DSSCs? A density functional evaluationJi Zhang, Yu-He Kan, Hai-Bin Li, et al.Journal of Molecular Modeling|January 1, 2013
Structural and energetic insights into sequence-specific interaction in DNA-drug recognition: development of affinity predictor and analysis of binding selectivityJingheng Ning, Weiwei Chen, Jiaojiao Li, et al.Journal of Molecular Modeling|January 4, 2013
Study of DNA base-Li doped SiC nanotubes in aqueous solutions: a computer simulation studySepideh Ketabi, Seyed Majid Hashemianzadeh, Morteza MoghimiwaskasiJournal of Molecular Modeling|January 5, 2013
Interactions of hydrogen molecules with complexes of lithium cation and aromatic nitrogen-containing heterocyclic anionsYingxin Sun, Huai SunJournal of Molecular Modeling|January 8, 2013
Shape entropy's response to molecular ionizationK Pineda-Urbina, R D Guerrero, A Reyes, et al.Journal of Molecular Modeling|January 8, 2013
Enhancing and modulating the intrinsic acidity of imidazole and pyrazole through beryllium bondsOtilia Mó, Manuel Yáñez, Ibon Alkorta, et al.Journal of Molecular Modeling|January 8, 2013
Theoretical investigation into optical and electronic properties of 1,8-naphthalimide derivativesRuifa Jin, Shanshan TangPageof 708