Gas phase conformational basicity of carvedilol fragment B, 2(S)-1-(ethylamonium)propane-2-ol: An ab initio study on a protonophoretic of oxidative phosphorylation uncoupling

Journal of Molecular Structure: THEOCHEM

Volumn 631, Issue 1-3, 2003, Pages 251-270

  Almeida, David R P ^a   Gasparro, Donna M ^a   Pisterzi, Luca F ^a   Torday, Ladislaus L ^b   Varro, Andras ^b   Papp, Julius Gy ^b   Penke, Botond ^b  

^a UNIVERSITY OF TORONTO   (Canada)

^b UNIVERSITY OF SZEGED   (Hungary)

Author keywords

2(S) 1 (ethylamonium)propane 2 ol; Ab initio; Basicity; Carvedilol; Proton affinity

Indexed keywords

1 (ETHYLAMONIUM)PROPAN 2 OL; CARVEDILOL; PROPANE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; BIOENERGY; CONFORMATION; DRUG MECHANISM; GEOMETRY; GEOMETRY OPTIMIZATION; HEART PROTECTION; HYDROGEN BOND; METHODOLOGY; MITOCHONDRIAL RESPIRATION; MOLECULAR INTERACTION; OXIDATIVE PHOSPHORYLATION; OXIDATIVE PHOSPHORYLATION UNCOUPLING; OXIDATIVE STRESS; PROTON TRANSPORT; ROTATION; STEREOCHEMISTRY;

EID: 0041765847     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00258-6     Document Type: Article

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