"Knock-out" analogues as a tool to quantify supramolecular processes: A theoretical study of molecular interactions in guanidiniocarbonyl pyrrole carboxylate dimers

Journal of the American Chemical Society

Volumn 127, Issue 31, 2005, Pages 11115-11124

  Schlund, Sebastian ^a   Schmuck, Carsten ^a   Engels, Bernd ^a  

^a UNIVERSITY OF WÜRZBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DIMERIZATION; HYDROGEN BONDS; MOLECULAR DYNAMICS; MONOMERS; PROBABILITY DENSITY FUNCTION; SOLVENTS; SUPRAMOLECULAR CHEMISTRY;

ELECTROSTATIC INTERACTIONS; METHYLENE; POLAR SOLVENTS; ZWITTERION;

DIMERS;

5 (GUANIDINIOCARBONYL) 1H PYRROLE 2 CARBOXYLATE; AMPHOLYTE; CARBENE; CARBOXYLIC ACID DERIVATIVE; DIMER; GUANIDINIOCARBONYL PYRROLE CARBOXYLATE DIMER; OXYGEN; PYRROLE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL BINDING; DENSITY FUNCTIONAL THEORY; ELECTRICITY; ENERGY; HYDROGEN BOND; QUANTITATIVE ANALYSIS; REACTION ANALYSIS; REPRODUCIBILITY; SUPRAMOLECULAR CHEMISTRY; THEORY;

EID: 23744433302     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja052536w     Document Type: Article

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