Density functional molecular study on the full conformational space of the S-4-(2-hydroxypropoxy)carbazol fragment of carvedilol (1-(9H-carbazol-4-yloxy)-3[2-(2-methoxyphenoxy)ethylamino]-2-propanol) in vacuum and in different solvent media

Journal of Physical Chemistry A

Volumn 106, Issue 43, 2002, Pages 10423-10436

  Almeida, David R P ^a   Pisterzi, Luca F ^a   Chass, Gregory A ^b   Torday, Ladislaus L ^c   Varro, Andras ^c   Papp, Julius Gy ^c   Csizmadia, Imre G ^a  

^a UNIVERSITY OF TORONTO   (Canada)

^b Velocet Communications Inc   (Canada)

^c UNIVERSITY OF SZEGED   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; COMPUTATIONAL METHODS; CONFORMATIONS; DRUG PRODUCTS; FREE ENERGY; HYDROGEN BONDS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; SOLVENTS; VACUUM;

POTENTIAL ENERGY HYPERSURFACES (PEHS);

MOLECULAR DYNAMICS;

EID: 84962385353     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp021253c     Document Type: Article

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