Molecular docking, TG/DTA, molecular structure, harmonic vibrational frequencies, natural bond orbital and TD-DFT analysis of diphenyl carbonate by DFT approach-Reference-Cited by-同舟云学术

Molecular docking, TG/DTA, molecular structure, harmonic vibrational frequencies, natural bond orbital and TD-DFT analysis of diphenyl carbonate by DFT approach

Published:2016-12 Issue: Volume:1125 Page:204-216
ISSN:0022-2860
Container-title:Journal of Molecular Structure
language:en
Short-container-title:Journal of Molecular Structure

Author:

Xavier S.^ORCID,Periandy S.,Carthigayan K.,Sebastian S.

Publisher

Elsevier BV

Subject

Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry

Reference52 articles.

1. Synthesis and Characterization of Polycarbonates by Melt Phase Interchange Reactions of Alkylene and Arylene Diacetates with Alkylene and Arylene Diphenyl Dicarbonates

2. http://www.pharmaexpert.ru/passonline/predict.php.

3. Vibrational spectra of the hydrated carbonate minerals ikaite, monohydrocalcite, lansfordite and nesquehonite

4. Structural, vibrational, electronic and NMR spectral analysis of benzyl phenyl carbonate

5. Orientation of the Chemical Shielding Anisotropy Tensor of the Carbonate Carbon in Diphenyl Carbonate and Its Consequences for NMR Studies on Polycarbonate

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