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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.Journal of Molecular Modeling|April 6, 2012
A novel dimerization interface of cyclic nucleotide binding domain, which is disrupted in presence of cAMP: implications for CNG channels gatingIvan Y Gushchin, Valentin I Gordeliy, Sergei GrudininJournal of Molecular Modeling|March 31, 2012
Interaction of wild type, G68R and L125M isoforms of the arylamine-N-acetyltransferase from Mycobacterium tuberculosis with isoniazid: a computational study on a new possible mechanism of resistanceRicardo Martins Ramos, Janaína Menezes Perez, Luis André Baptista, et al.Journal of Molecular Modeling|February 2, 2013
Calculation of the Raman frequencies as a function of pressure in the solid phases II and III (III') of benzeneHamit Yurtseven, Özlem TarıJournal of Molecular Modeling|February 2, 2013
Theoretical investigation of Co(0)-catalyzed intramolecular hydroacylation of 4-pentenalQingxi Meng, Fen Wang, Ming LiJournal of Molecular Modeling|February 5, 2013
Influence of the monoclinic and tetragonal zirconia phases on the water gas shift reaction. A theoretical studyMaría Luisa Cerón, Barbara Herrera, Paulo Araya, et al.Journal of Molecular Modeling|February 5, 2013
Optical properties of GaAs nanocrystals: influence of an electric fieldMasoud Bezi JavanJournal of Molecular Modeling|February 27, 2013
Conformation-dependent conductance through a molecular break junctionBartłomiej M Szyja, Huu Chuong Nguyen, Daniel Kosov, et al.Journal of Molecular Modeling|March 13, 2013
PM6 study of free radical scavenging mechanisms of flavonoids: why does O-H bond dissociation enthalpy effectively represent free radical scavenging activity?Dragan Amić, Višnja Stepanić, Bono Lučić, et al.Journal of Molecular Modeling|May 9, 2012
Substituent effects on the properties of fluorene-thieno[3,4-b]pyrazine derivatives for light-emitting applicationsYanling Wang, Qiang Peng, Zaifang Li, et al.Pageof 697