Molecular structure, anharmonic vibrational frequencies and NBO analysis of naphthalene acetic acid by density functional theory calculations

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 77, Issue 3, 2010, Pages 612-619

  Kavitha, E ^a   Sundaraganesan, N ^a   Sebastian, S ^a   Kurt, M ^b  

^a ANNAMALAI UNIVERSITY   (India)

^b Asikpasa Kampus ^*  (Turkey)

Author keywords

Anharmonic frequencies; DFT; Dimer; FT IR; FT Raman; NAA

Indexed keywords

ANHARMONIC FREQUENCIES; DFT; FT-IR; FT-RAMAN; NAA;

ACETIC ACID; ACIDS; CHARGE TRANSFER; CHEMICAL BONDS; ION EXCHANGE; MASS TRANSFER; MOLECULAR STRUCTURE; MOLECULES; NAPHTHALENE; PH EFFECTS;

DENSITY FUNCTIONAL THEORY;

ARYLACETIC ACID DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; DIMERIZATION; HYDROGEN BOND; INFRARED SPECTROSCOPY; QUANTUM THEORY; VIBRATION;

DIMERIZATION; HYDROGEN BONDING; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NAPHTHALENEACETIC ACIDS; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; VIBRATION;

EID: 77955919828     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2010.06.034     Document Type: Article

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