Effect of the phosphonomethylene moiety on the structural, vibrational, energetic, thermodynamic and optical proprieties of ((Phenylcarbamoylmethyl-phosphonomethyl-amino)-methyl)-phosphonic acid: DFT investigation

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Title
Effect of the phosphonomethylene moiety on the structural, vibrational, energetic, thermodynamic and optical proprieties of ((Phenylcarbamoylmethyl-phosphonomethyl-amino)-methyl)-phosphonic acid: DFT investigation
Authors
Keywords
α-Aminophosphonic acid, Irani-moedritzer reaction, DFT, NLO, MESP, Thermodynamic parameters
Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1215, Issue -, Pages 128193
Publisher
Elsevier BV
Online
2020-04-08
DOI
10.1016/j.molstruc.2020.128193

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