Application of a computational systematic search strategy to study polymorphism in phenazine and perylene

Journal of Physical Chemistry B

Volumn 103, Issue 37, 1999, Pages 7762-7770

  Hammond, Robert B ^a   Roberts, Kevin J ^a   Smith, Elaine D L ^a   Docherty, Robert ^b,c  

^a HERIOT WATT UNIVERSITY   (United Kingdom)

^b ASTRAZENECA   (United Kingdom)

^c PFIZER GLOBAL RESEARCH AND DEVELOPMENT   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000405829     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp984419b     Document Type: Article

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35. All polymorphs are unminimized lowest energy trial structures from this work; UVWZ refer to the intermolecular bonding vector (origin at 0001), where UVW are multiples of the three principal axes and Z refers to the unique molecule within the unit cell; distances refer to center of gravity separations.