A. V. Shishkina, A. I. Stash, B. Civalleri, A. M. Ellern, V. G. Tsirelson, “Electron-density and electrostatic-potential features of orthorhombic chlorine trifluoride”, Mendeleev Commun., 2010, Volume 20, Issue 3,Pages <nobr>161

This article is cited in 26 papers

Electron-density and electrostatic-potential features of orthorhombic chlorine trifluoride

A. V. Shishkina^a, A. I. Stash^ab, B. Civalleri^c, A. M. Ellern^d, V. G. Tsirelson^a

^a D.Mendeleev University of Chemical Technology of Russia, Moscow, Russian Federation
^b L. Ya. Karpov Institute of Physical Chemistry, Moscow, Russian Federation
^c Università di Torino and NIS Centre of Excellence, Torino, Italy
^d Department of Chemistry, Iowa State University, Ames, IA, USA

Abstract: The intermolecular interactions in solid ClF₃ are analyzed in terms of the quantum theory of atoms in molecules and crystals using experimental and theoretical electron density.

Keywords: Electron density, electrostatic potential, molecular interactions, quantum topological theory.

Language: English

DOI: 10.1016/j.mencom.2010.05.013

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