Conformational analysis of [12]aneN4 (1,4,7,10-tetraazacyclododecane) and [14]aneN4 (1,4,8,11-tetraazacyclotetradecane) using molecular mechanics and ab initio methods

Journal of Physical Chemistry A

Volumn 104, Issue 50, 2000, Pages 11801-11809

  Bultinck, Patrick ^a   Van Alsenoy, Christian ^a   Goeminne, Andre ^a   Van De Vondel, Dirk ^b  

^a GHENT UNIVERSITY   (Belgium)

^b UNIVERSITY OF ANTWERP   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; ELECTRONS; ELECTROSTATICS; HYDROGEN BONDS; MOLECULAR DYNAMICS; NUMERICAL METHODS; QUANTUM THEORY;

AB INITIO QUANTUM CHEMICAL METHODS; ENERGY MINIMA; INTRAMOLECULAR INTERACTIONS; MACROCYCLIC POLYAMINES; MOLECULAR MECHANICS; TETRAAZACYCLODODECANE; TETRAAZACYCLOTETRADECANE;

POLYAMIDES;

EID: 0034516640     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0028709     Document Type: Article

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