Quantum chemical calculations of conformation, vibrational spectroscopic, electronic, NBO and thermodynamic properties of 2,2-dichloro-N-(2,3-dichlorophenyl) acetamide and 2,2-dichloro-N-(2,3-dichlorophenyl) acetamide

Computational and Theoretical Chemistry

Volumn 1032, Issue , 2014, Pages 27-41

  Choudhary, Neetu ^a   Agarwal, Parag ^a   Gupta, Archana ^a   Tandon, Poonam ^b  

^a M J P ROHILKHAND UNIVERSITY   (India)

^b UNIVERSITY OF LUCKNOW   (India)

Author keywords

Density functional theory; HOMO LUMO; MEP; UV analysis; Vibrational spectroscopy

Indexed keywords

EID: 84894076221     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2014.01.011     Document Type: Article

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