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Volumn 110, Issue 5, 2003, Pages 322-327

Ab initio and density functional studies on the structure and vibrational spectra of 2-hydroxy-1,4-naphthoquinone-1-oxime derivatives

(4) Joshi, Kaustubh A a Thube, Dilip R b Rane, Sandhya Y a Gejji, Shridhar P a

a UNIVERSITY OF PUNE (India)

b New Arts Science and Commerce College Ahmednagar (India)

Author keywords

Density functional; Fock; Hartree; Hydrogen bonding; Lawsoneoxime

Indexed keywords

AMIDE; CHLORIDE; HYDROGEN; LAWSONE; NITRITE; NITRO DERIVATIVE; NITROSO DERIVATIVE; OXIME DERIVATIVE; PHENOL DERIVATIVE;

AB INITIO CALCULATION; ARTICLE; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; DENSITY; ELECTRICITY; ENERGY; HYDROGEN BOND; MOLECULE; PREDICTION; SPECTRUM; SYNTHESIS; VIBRATION;

EID: 0346331901 PISSN: 1432881X EISSN: None Source Type: Journal
DOI: 10.1007/s00214-003-0480-0 Document Type: Article

Times cited : (7)

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