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Journal of Molecular Modeling|February 3, 2012
Theoretical studies on the Mo-catalyzed asymmetric intramolecular Pauson-Khand-type [2+2+1] cycloadditions of 3-allyloxy-1-propynylphosphonatesQingxi Meng, Ming LiJournal of Molecular Modeling|July 31, 2015
Topological insights into the 1/1 diacetyl/water complex gained using a new methodological approachD Dargent, E L Zins, B Madebène, et al.Journal of Molecular Modeling|July 31, 2015
The solvatochromism of phenolate betaines: comparing different cavities of a polarized continuum modelMarcos Caroli Rezende, Moisés DomínguezJournal of Molecular Modeling|August 2, 2015
Probing the selective separation of potassium ion from sodium ion with cyclopentadienyl anion as receptor: a computational studyMittal L Desai, Mrinal Kanti Si, Rabindranath Lo, et al.Journal of Molecular Modeling|December 17, 2015
Vibrational properties, phonon spectrum and related thermal parameters of β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine: a theoretical studyWen Qian, Weibin Zhang, Hehou Zong, et al.Journal of Molecular Modeling|December 17, 2015
Theoretical study of the cooperative effects between the triel bond and the pnicogen bond in BF3···NCXH2···Y (X = P, As, Sb; Y = H2O, NH3) complexesMing-Xiu Liu, Hong-Ying Zhuo, Qing-Zhong Li, et al.Journal of Molecular Modeling|December 18, 2015
An insight into the interaction of L-proline with the transition metal cations Fe(2+), Co(2+), Ni(2+): a gas phase theoretical studyBehzad KhaliliJournal of Molecular Modeling|December 15, 2015
Molecular assembly of lethal factor enzyme and pre-pore heptameric protective antigen in early stage of translocationLaleh Alisaraie, Isabelle RouillerJournal of Molecular Modeling|December 10, 2015
Substituent effects on the properties of the hemi-bonded complexes (XH2P···NH2Y)(+) (X, Y=H, F, Cl, Br, NH2, CH3, OH)Li Fei Ji, An Yong Li, Zhuo Zhe Li, et al.Journal of Molecular Modeling|November 14, 2015
Functional insights from a comparative study on the dynamics of Antigen85 proteins and MPT51 from Mycobacterium tuberculosisShobana Sundar, David Annaraj, Anitha Selvan, et al.Pageof 695