Molecular dynamics simulations of p-tert-Butylcalix[4]arene with small guest molecules

Chemistry - A European Journal

Volumn 12, Issue 20, 2006, Pages 5231-5237

  Alavi, Saman ^a   Afagh, Nicholas A ^a   Ripmeester, John A ^a   Thompson, Donald L ^b  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

^b UNIVERSITY OF MISSOURI   (United States)

Author keywords

Calixarenes; Host guest systems; Inclusion compounds; Molecular dynamics simulations; Solid state structures

Indexed keywords

COMPUTER SIMULATION; METHANE; MOLECULAR DYNAMICS; SULFUR COMPOUNDS; VAN DER WAALS FORCES; XENON;

CALIXARENES; HOST-GUEST SYSTEMS; INCLUSION COMPOUNDS; MOLECULAR DYNAMICS SIMULATIONS; SOLID-STATE STRUCTURES;

OLEFINS;

EID: 33745920784     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200501317     Document Type: Article

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