DFT studies on vibrational spectra, HOMO-LUMO, NBO and thermodynamic function analysis of cyanuric fluoride.

Prabhaharan, M; Prabakaran, A R; Gunasekaran, S; Srinivasan, S

Prabhaharan, M; Prabakaran, A R; Gunasekaran, S; Srinivasan, S.

Afiliação

Prabhaharan M; Department of Physics, Aksheyaa College of Engineering, Puludivakkam, Madurantagam-Tk, Kancheepuram-Dt, Tamil Nadu, India; PG and Research Department of Physics, Pachaiyappa's College, Chennai, India. Electronic address: mprabhaharan@hotmail.com.
Prabakaran AR; PG and Research Department of Physics, Pachaiyappa's College, Chennai, India.
Gunasekaran S; Research and Development Center, St. Peter's University, Chennai, India.
Srinivasan S; PG and Research Department of Physics, Presidency College (Autonomous), Chennai, India.

Spectrochim Acta A Mol Biomol Spectrosc ; 136 Pt B: 494-503, 2015 Feb 05.

Article em En | MEDLINE | ID: mdl-25448950

Assuntos

Triazinas/química; Modelos Moleculares; Teoria Quântica; Espectroscopia de Infravermelho com Transformada de Fourier; Análise Espectral Raman; Eletricidade Estática; Termodinâmica

Palavras-chave

Cyanuric fluoride; HOMOLUMO; MEP and NBO

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Texto completo: 1 Bases de dados: MEDLINE Assunto principal: Triazinas Tipo de estudo: Prognostic_studies Idioma: En Revista: Spectrochim Acta A Mol Biomol Spectrosc Assunto da revista: BIOLOGIA MOLECULAR Ano de publicação: 2015 Tipo de documento: Article

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