Parametrization of a force field for Te-N secondary bonding interactions and its application in the design of supramolecular structures based on heterocyclic building blocks

Crystal Growth and Design

Volumn 11, Issue 3, 2011, Pages 668-677

  Cozzolino, Anthony F ^a   Vargas Baca, Ignacio ^a  

^a MCMASTER UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC FORCE FIELD; BIFUNCTIONAL; BOND LENGTHS AND ANGLES; BUILDING BLOCKES; COMPLEX STRUCTURE; COMPUTATIONAL EFFORT; DENSITY FUNCTIONAL THEORY METHODS; DIAMIDES; FORCE FIELDS; HARTREE-FOCK; NEW PARAMETERS; PARAMETER SET; PARAMETRIZATIONS; REPRODUCIBILITIES; SECONDARY BONDING; SIMPLE MODIFICATIONS; STERIC BARRIER; SUPRAMOLECULAR ARCHITECTURES; SUPRAMOLECULAR STRUCTURE; TRIMETHYLSILYL;

ASSOCIATION REACTIONS; DENSITY FUNCTIONAL THEORY; DIMERS; SUPRAMOLECULAR CHEMISTRY; TELLURIUM; TELLURIUM COMPOUNDS;

THREE DIMENSIONAL;

EID: 79952121628     PISSN: 15287483     EISSN: 15287505     Source Type: Journal    
DOI: 10.1021/cg100951y     Document Type: Article

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