Structure analysis restrained by ab initio calculations: The molecular structure of 2,5-dichloropyrimidine in gaseous and crystalline phases

Journal of Physical Chemistry

Volumn 100, Issue 30, 1996, Pages 12280-12287

  Blake, Alexander J ^a,b   Brain, Paul T ^a   McNab, Hamish ^a   Miller, Jennifer ^a   Morrison, Carole A ^a   Parsons, Simon ^a   Rankin, David W H ^a   Robertson, Heather E ^a   Smart, Bruce A ^a  

^a UNIVERSITY OF EDINBURGH   (United Kingdom)

^b UNIVERSITY OF NOTTINGHAM   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON DIFFRACTION; MATHEMATICAL TECHNIQUES; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; PHYSICAL CHEMISTRY;

AB INITIO CALCULATIONS; DICHLOROPYRIMIDINE; GAS PHASE ELECTRON DIFFRACTION; STRUCTURE ANALYSIS;

ORGANIC COMPOUNDS;

EID: 0030197722     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp960084r     Document Type: Article

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