Molecular structure and vibrational spectra of melamine diborate by density functional theory and ab initio Hartree-Fock calculations

Journal of Molecular Structure: THEOCHEM

Volumn 713, Issue 1-3, 2005, Pages 21-26

  Atalay, Yusuf ^a   Avci, Davut ^a   Başoĝlu, Adil ^a   Okur, Ibrahim ^a  

^a SAKARYA UNIVERSITY   (Turkey)

Author keywords

DFT; HF; IR spectrum; Melamine diborate; Triazine ring; Vibrational assignment

Indexed keywords

BORIC ACID; MELAMINE DIBORATE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; FREQUENCY ANALYSIS; GEOMETRY; OBSERVATION; SPECTRUM; VIBRATION;

EID: 10644289496     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.09.044     Document Type: Article

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