Theoretical modeling and experimental studies on N-n-Decyl-2-oxo-5-nitro-1-benzylidene-methylamine

Journal of Molecular Modeling

Volumn 15, Issue 10, 2009, Pages 1281-1290

  Tanak, Hasan ^a   Erşahin, Ferda ^b   Köysal, Yavuz ^a   Aǧar, Erbil ^a   Işik, Şamil ^a   Yavuz, Metin ^a  

^a ONDOKUZ MAYIS UNIVERSITY   (Turkey)

^b SINOP UNIVERSITY   (Turkey)

Author keywords

Density functional theory; Electronic absorption spectra; Hartree Fock; Molecular electrostatic potential; Schiff base; Vibrational assignment

Indexed keywords

ALCOHOL; CHLOROFORM; METHYLAMINE; N,N DECYL 2 OXO 5 NITRO 1 BENZYLIDENEMETHYLAMINE; SOLVENT; UNCLASSIFIED DRUG; WATER;

ARTICLE; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRICITY; ENTHALPY; EXPERIMENTAL STUDY; GAS; GEOMETRY; HYDROGEN BOND; INFRARED SPECTROSCOPY; PRIORITY JOURNAL; SOLVENT EFFECT; SPECTROSCOPY; SYNTHESIS; THEORETICAL MODEL; THERMODYNAMICS; X RAY DIFFRACTION; X RAY SPECTROMETRY;

BENZYLIDENE COMPOUNDS; CYCLOHEXANONES; MODELS, MOLECULAR; MODELS, THEORETICAL; SCHIFF BASES; THERMODYNAMICS;

EID: 68949193000     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-009-0492-3     Document Type: Article

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