机译:A Single Molecular Electronic Device with Keto-Enol Switching to Control Intramolecular Electronic Charge Transfer: A Density Functional Theory Investigation
机译:Topographical Analysis of Molecular Electrostatic Potential and Electron Density for Electron Distribution and Chemical Bonding in Polyacetylene Oligomers
机译:A First-Principle Study of the Structural Property of XH2+nH (X = Be, Mg; n=0, 2, 4, 8) and Calculation of Excess Gibb's Free Energy Due to Added Hydrogen Atoms
机译:Selected Peer-Reviewed Articles from International Workshop/Conference on Computational Condensed Matter Physics and Materials Science (IWCCMP-2014), Gwalior, India, 25-30 November, 2014