A molecular orbital study on the conformational properties of dopamine [1,2-benzenediol-4(2-aminoethyl)]and dopamine cation

Journal of Molecular Structure

Volumn 484, Issue 1-3, 1999, Pages 181-196

  Fausto, Rui ^a   Ribeiro, Maria João S ^b   De Lima, João J Pedroso ^b  

^a UNIVERSITY OF COIMBRA   (Portugal)

^b UNIVERSITY OF COIMBRA   (Portugal)

Author keywords

Ab initio and semiempirical (PM3) molecular orbital calculations; Conformational properties; Dopamine 1,2 benzenediol 4(2 aminoethyl) neutral and zwitterionic forms; Dopamine cation; Molecular structure

Indexed keywords

1,2 BENZENEDIOL 4 (2 AMINOETHYL); AMINE; AMPHOLYTE; BENZENE DERIVATIVE; CATION; DOPAMINE; HYDROGEN; HYDROXYL GROUP; UNCLASSIFIED DRUG;

ARTICLE; CONFORMATION; GEOMETRY; MATHEMATICAL MODEL; MOLECULAR DYNAMICS; MOLECULAR INTERACTION;

EID: 0033535880     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(98)00904-1     Document Type: Article

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