Nature of Cl⋯Cl intermolecular interactions via experimental and theoretical charge density analysis: Correlation of polar flattening effects with geometry

Journal of Physical Chemistry A

Volumn 114, Issue 51, 2010, Pages 13434-13441

  Hathwar, Venkatesha R ^a   Row, Tayur N Guru ^a  

^a INDIAN INSTITUTE OF SCIENCE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ASPHERICAL; ATOMS IN MOLECULES; BADER'S THEORY; CHARGE-DENSITY ANALYSIS; CHLOROMETHYL; CL ATOMS; ELECTRON DENSITIES; EXPERIMENTAL CHARGE DENSITY; HIGH-RESOLUTION X-RAY DIFFRACTION DATA; HYDROXYPYRIDINE; INTERMOLECULAR INTERACTIONS; MULTIPOLES; QUANTUM CALCULATION; THEORETICAL STRUCTURE; TOPOLOGICAL FEATURES; TYPE II;

CARRIER CONCENTRATION; CHARGE DENSITY; DENSITY FUNCTIONAL THEORY; ELECTRON DENSITY MEASUREMENT; GEOMETRY; METHANOL; TOPOLOGY; X RAY DIFFRACTION;

CHLORINE COMPOUNDS;

EID: 78650605782     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp1100413     Document Type: Article

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