FT-IR, FT-Raman, NMR spectral analysis and theoretical NBO, HOMO-LUMO analysis of bis(4-amino-5-mercapto-1,2,4-triazol-3-yl)ethane by ab initio HF and DFT methods

Journal of Molecular Structure

Volumn 981, Issue 1-3, 2010, Pages 59-70

  Subashchandrabose, S ^a   Krishnan, Akhil R ^a   Saleem, H ^a   Thanikachalam, V ^a   Manikandan, G ^a   Erdogdu, Yusuf ^b  

^a ANNAMALAI UNIVERSITY   (India)

^b AHI EVRAN UNIVERSITY   (Turkey)

Author keywords

BAMTE; FT IR; FT Raman; HOMO LUMO; NBO analysis; NMR

Indexed keywords

BAMTE; FT-IR; FT-RAMAN; HOMO-LUMO; NBO ANALYSIS; NMR;

CHARGE TRANSFER; ETHANE; ION EXCHANGE; MOLECULAR ORBITALS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; RAMAN SCATTERING; RAMAN SPECTROSCOPY; SPECTRUM ANALYSIS; SPECTRUM ANALYZERS;

MOLECULAR STRUCTURE;

EID: 77957355123     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2010.07.025     Document Type: Article

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