Cation recognition of thiacalix[2]thianthrene and p-tert-butylthiacalix[2] thianthrene and their conformers and complexes with Zn(II), Cd(II) and Hg(II): A theoretical investigation

Journal of Molecular Modeling

Volumn 16, Issue 2, 2010, Pages 243-253

  Kaenkaew, Saowapak ^a   Sae Khow, Ornchuree ^a   Ruangpornvisuti, Vithaya ^a  

^a CHULALONGKORN UNIVERSITY   (Thailand)

Author keywords

Cadmium; Cation recognition; Mercury; P Tert butylthiacalix 2 thianthrene; Quantum chemical calculations; Thiacalix 2 thianthrenes; Zinc

Indexed keywords

CADMIUM; CALIXARENE; MERCURY; ZINC COMPLEX;

ARTICLE; BINDING KINETICS; CHEMICAL STRUCTURE; COMPUTER PROGRAM; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; MOLECULAR RECOGNITION; PRIORITY JOURNAL; QUANTUM CHEMISTRY; THEORETICAL STUDY; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

CADMIUM; CATIONS; HETEROCYCLIC COMPOUNDS; MERCURY; METALS, HEAVY; MODELS, THEORETICAL; MOLECULAR STRUCTURE; SULFIDES; THERMODYNAMICS; ZINC;

EID: 75949117402     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-009-0536-8     Document Type: Article

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