A density functional study towards substituent effects on anion sensing with urea receptors

Journal of Molecular Modeling

Volumn 16, Issue 9, 2010, Pages 1441-1448

  Ghosh, Amrita ^a   Jose, D Amilan ^a   Das, Amitava ^a   Ganguly, Bishwajit ^a  

^a CSIR CENTRAL SALT AND MARINE CHEMICALS RESEARCH INSTITUTE   (India)

Author keywords

Anion binding; Density functional study; Receptor; Substituent effect; Urea

Indexed keywords

ACETIC ACID; ANION; DRUG RECEPTOR; FLUORIDE ION; UNCLASSIFIED DRUG; UREA; UREA RECEPTOR;

ARTICLE; COMPLEX FORMATION; DENSITY FUNCTIONAL THEORY; PKA; PRIORITY JOURNAL;

ACETATES; ANIONS; FLUORIDES; IONS; MODELS, CHEMICAL; THERMODYNAMICS; UREA;

EID: 77955314876     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0663-2     Document Type: Article

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