Exploring the dynamics of calix[4]pyrrole: Effect of solvent and fluorine substitution

Chemistry - A European Journal

Volumn 13, Issue 4, 2007, Pages 1108-1116

  Blas, J Ramón ^a   López Bes, Jose Maria ^b   Márquez, Manuel ^c,d,e   Sessler, Jonathan L ^f   Luque, F Javier ^b   Orozco, Modesto ^a,b,g  

^a INSTITUTE FOR RESEARCH IN BIOMEDICINE   (Spain)

^b UNIVERSITY OF BARCELONA   (Spain)

^c Arizona State University   (United States)

^d NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

^e Philip Morris USA   (United States)

^f UNIVERSITY OF TEXAS AT AUSTIN   (United States)

^g BARCELONA SUPERCOMPUTING CENTER   (Spain)

Author keywords

Calixpyrroles; Molecular dynamics; Receptors; Solvent effects; Substituent effects

Indexed keywords

COMPUTER SIMULATION; CONFORMATIONS; FLUORINE; HYDROGEN BONDS; MOLECULAR DYNAMICS; REACTION KINETICS; SOLVENTS; SUBSTITUTION REACTIONS;

CALIXPYRROLES (CP); GAS-PHASE CALCULATIONS; SOLVENT EFFECTS; SUBSTITUENT EFFECTS;

IRON COMPOUNDS;

EID: 33846633724     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200600757     Document Type: Article

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