Theoretical investigation of geometrical conformation, protonation of tetraamino-p-tert-butylthiacalix[4]arene and complexation with zinc: A comparative theoretical method

Journal of Molecular Structure: THEOCHEM

Volumn 685, Issue 1-3, 2004, Pages 57-71

  Wanno, Banchob ^a   Ruangpornvisuti, Vithaya ^a  

^a Fac Sci   (Thailand)

Author keywords

Conformation; Density functional theory; Hartree Fock; ONIOM; Protonation; Semiempirical; Tetraamino p tert butylthiacalix 4 arene; Zinc complex

Indexed keywords

CALIXARENE; POLYCYCLIC AROMATIC HYDROCARBON DERIVATIVE; TETRAAMINO 4 TERT BUTYLTHIACALIX[4]ARENE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; COMPLEX FORMATION; CONFORMATION; CRYSTAL STRUCTURE; ELECTRICITY; GEOMETRY; PROTON TRANSPORT; THEORETICAL STUDY; X RAY CRYSTALLOGRAPHY;

EID: 6944224484     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.06.016     Document Type: Article

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