Theoretical and experimental investigations on the structure and vibrational spectra of 2-hydroxy-3-methyl-1, 4-naphthoquinone-1-oxime

Journal of Molecular Structure: THEOCHEM

Volumn 622, Issue 3, 2003, Pages 211-219

  Thube, Dilip R ^a,b   Todkary, Ashwini V ^a   Joshi, Kaustubh A ^a   Rane, Sandhya Y ^a   Gejji, Shridhar P ^a   Salunke, Sunita A ^c   Marrot, Jérôme ^d   Varret, François ^c  

^a UNIVERSITY OF PUNE   (India)

^b Commerce and Science College ^*  (India)

^c LABORATOIRE DES SCIENCES DU CLIMAT ET DE L ENVIRONNEMENT   (France)

^d UNIVERSITÉ DE VERSAILLES SAINT QUENTIN EN YVELINES   (France)

Author keywords

Hartree Fock; Hybrid density functional; Hydrogen bonding

Indexed keywords

1,4 NAPHTHOQUINONE DERIVATIVE; 2 HYDROXY 3 METHYL 1,4 NAPHTHOQUINONE 1 OXIME; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CONFORMATION; CRYSTAL STRUCTURE; ELECTRIC POTENTIAL; ENERGY TRANSFER; HYDROGEN BOND; MOLECULAR DYNAMICS; QUANTUM MECHANICS; SUPRAMOLECULAR CHEMISTRY; THEORETICAL MODEL; VIBRATION; X RAY DIFFRACTION;

EID: 0037454138     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(02)00646-2     Document Type: Article

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