Characterization of heterocyclic rings through quantum chemical topology

Journal of Chemical Information and Modeling

Volumn 53, Issue 7, 2013, Pages 1714-1725

  Griffiths, Mark Z ^a   Popelier, Paul L A ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

SCAFFOLDS; TOPOLOGY;

BOND CRITICAL POINTS; FIRST PRINCIPLE CALCULATIONS; FIVE-MEMBERED RINGS; HETEROCYCLIC RINGS; QUANTUM CHEMICAL TOPOLOGY; RELATIVE POSITIONS; SPECIFIC PROPERTIES; TOPOLOGICAL PROPERTIES;

QUANTUM CHEMISTRY;

HETEROCYCLIC COMPOUND;

ARTICLE; CHEMISTRY; CONFORMATION; HYDROGEN BOND; MOLECULAR DYNAMICS; QUANTUM THEORY;

HETEROCYCLIC COMPOUNDS; HYDROGEN BONDING; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; QUANTUM THEORY;

EID: 84880526349     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400235u     Document Type: Article

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