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Updated: Jul 9, 2026

Spatial Separation of Molecular Conformers and Clusters
10:37

Spatial Separation of Molecular Conformers and Clusters

Published on: January 9, 2014

澄清一些结合概念:病毒定理,电子对排斥和旋转屏障

W H Eugen Schwarz1,2, Gernot Frenking3,4,5, Sudip Pan6

  • 1Department of Chemistry, University of Siegen, Siegen, Germany.

Journal of computational chemistry
|March 28, 2025
PubMed
概括

分子病毒定理分析了分子能量,但不能解释结合的稳定性. 这项研究阐明了分子系统中的因果关系,以硬体排斥和乙的旋转屏障为例.

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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

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