Calculation of the Dipole Moment for Polypeptides Using the Generalized Born-Electronegativity Equalization Method: Results in Vacuum and Continuum-Dielectric Solvent

Journal of Physical Chemistry B

Volumn 108, Issue 13, 2004, Pages 4171-4177

  Shimizu, K ^a   Chaimovich, H ^a   Farah, J P S ^a   Dias, L G ^b   Bostick, D L ^b  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

^b University of North Carolina at Chapel Hill   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTER AIDED ANALYSIS; DIELECTRIC LIQUIDS; FREE ENERGY; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; THERMODYNAMICS; VACUUM;

BORN FUNCTION; BORN-ELECTRONEGATIVITY EQUALIZATION METHOD; DIPOLE MOMENT; REACTIVITY INDEX;

POLYPEPTIDES;

EID: 1842663309     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp037315w     Document Type: Article

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