Theoretical investigation of the conformational preference and spectroscopic analysis of cinnamoyl chloride and cinnamide
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Published:2024-07
Issue:3
Volume:51
Page:100232
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ISSN:2307-4108
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Container-title:Kuwait Journal of Science
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language:en
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Short-container-title:Kuwait Journal of Science
Author:
Fadl Fatima,
Abdalla Sahar,
Umar YunusaORCID,
Ishaq Abdurrahman
Reference43 articles.
1. Theoretical study of the effects of solvation, substitution, and structure on the properties of imidazolines, oxazolines, and thiazolines;Abdalla;J. Phys. Chem. A,2010
2. Conformational and vibrational analysis of 2-, 3- and 4-Pyridinecarbonyl chloride using DFT;Abdalla;Z. Phys. Chem.,2016
3. Theoretical studies on the effects of methods and parameterization on the calculated free energy of hydration for small molecules;Alagona;Int. J. Quant. Chem.,2004
4. Density‐functional thermochemistry. III. The role of exact exchange;Becke;J. Chem. Phys.,1993
5. Remarks on the use of the apparent surface charges (ASC) methods in solvation problems: iterative versus matrix‐inversion procedures and the renormalization of the apparent charges;Cammi;J. Comput. Chem.,1995