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Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 97, Issue , 2012, Pages 215-222

Experimental and theoretical spectroscopic studies, HOMO-LUMO, NBO and NLMO analysis of 3,5-dibromo-2,6-dimethoxy pyridine

(2) Xavier, R John a Gobinath, E b

a Periyar EVR College Autonomous (India)

b Jayaram College of Engineering and Technology (India)

Author keywords

3,5 Dibromo 2,6 dimethoxy pyridine; HOMO LUMO; MEP; NBO; NLMO

Indexed keywords

AB INITIO; BASIS SETS; DENSITY FUNCTIONAL THEORIES (DFT); ELECTROPHILIC ATTACK; FOURIER TRANSFORM INFRARED; FT- RAMAN SPECTROSCOPY; FUNDAMENTAL MODES; GRADIENT CALCULATIONS; HARMONIC VIBRATIONAL FREQUENCIES; HOMO-LUMO; HOMO-LUMO ENERGY GAP; LOCALIZED MOLECULAR ORBITALS; MEP; MOLECULAR ELECTROSTATIC POTENTIALS; NATURAL BOND ORBITAL; NBO; NLMO; NUCLEOPHILIC REACTION; OPTIMIZED GEOMETRIES; POLYCRYSTALLINE SAMPLES; RAMAN ACTIVITIES; ROOM TEMPERATURE; SPECTROSCOPIC STUDIES; THEORETICAL RESULT; ZERO-POINT ENERGIES;

CALCULATIONS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; MOLECULAR ORBITALS; MOLECULAR VIBRATIONS; MOLECULES; RAMAN SPECTROSCOPY; SPECTROSCOPIC ANALYSIS;

PYRIDINE;

3,5 DIBROMO 2,6 DIMETHOXY PYRIDINE; 3,5-DIBROMO-2,6-DIMETHOXY PYRIDINE; PYRIDINE; PYRIDINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; INFRARED SPECTROSCOPY; RAMAN SPECTROMETRY; STATIC ELECTRICITY; THERMODYNAMICS; VIBRATION; X RAY DIFFRACTION;

MODELS, MOLECULAR; MOLECULAR CONFORMATION; PYRIDINES; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; STATIC ELECTRICITY; THERMODYNAMICS; VIBRATION; X-RAY DIFFRACTION;

EID: 84865298797 PISSN: 13861425 EISSN: None Source Type: Journal
DOI: 10.1016/j.saa.2012.06.008 Document Type: Article

Times cited : (33)

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