DFT and quantum chemical investigation of molecular properties of substituted pyrrolidinones

Arabian Journal of Chemistry

Volumn 5, Issue 2, 2012, Pages 163-166

  Bouklah, Mohammed ^a   Harek, Houria ^b   Touzani, Rachid ^a,c   Hammouti, Belkheir ^a   Harek, Yahia ^b  

^a FACULTÉ DES SCIENCES   (Morocco)

^b UNIVERSITY OF TLEMCEN   (Algeria)

^c FACULTÉ DES SCIENCES   (Morocco)

Author keywords

Inhibitors; Pyridine; Pyrrolidinone; Quantum chemical calculations

Indexed keywords

BASIS SETS; DIETHYL ESTER; FUNCTIONAL DENSITY; GAUSSIANS; HIGHEST OCCUPIED MOLECULAR ORBITAL; MOLECULAR DENSITY; MOLECULAR PROPERTIES; PHOSPHONIC ACIDS; PYRROLIDIN-2-ONES; PYRROLIDINONE; QUANTUM CHEMICAL INVESTIGATION; QUANTUM-CHEMICAL CALCULATION; THERMODYNAMICS PARAMETERS;

ACETIC ACID; CORROSION INHIBITORS; ELECTRONIC PROPERTIES; ORGANIC ACIDS; PH; PYRIDINE; THERMODYNAMICS;

QUANTUM CHEMISTRY;

EID: 84857501669     PISSN: 18785352     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.arabjc.2010.08.008     Document Type: Article

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