An ab initio and DFT conformational analysis of unsubstituted and ω-substituted ethyl-benzene: (Ph-CH2-CH2-Z; Z = -H, -F, -NH3+, -CH3)

Journal of Molecular Structure: THEOCHEM

Volumn 585, Issue 1-3, 2002, Pages 167-179

  Gasparro, Donna M ^a   Almeida, David R P ^a   Dobo, Stefanie M ^a   Torday, Ladislaus L ^b   Varro, Andras ^b   Papp, Julius Gy ^b  

^a UNIVERSITY OF TORONTO   (Canada)

^b UNIVERSITY OF SZEGED   (Hungary)

Author keywords

Biogenic amines; Conformational analysis; DFT; Hartree Fock; MO; Ph CH2 CH2 Z

Indexed keywords

3,4 METHYLENEDIOXYMETHAMPHETAMINE; AMPHETAMINE; BIOGENIC AMINE; EPHEDRINE; ETHYLBENZENE; FLUOXETINE; MESCALINE; SELEGILINE;

AB INITIO CALCULATION; ARTICLE; CONFORMATION; CORRELATION FUNCTION; ELECTRON; ENERGY; THEORY;

EID: 0037123854     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(02)00043-X     Document Type: Article

References (4)