Structural and Spectral Analysis of Epicatechin Molecule by Density Functional Theory Method
In this study, firstly the minimum energy structure of the title compound was determined by a result of the scanning of the potential energy surface at DFT(B3LYP)/6-31 G (d, p) from -180o to -180o at 20o steps at a dihedral angle. Then, the ground state optimized structure and spectral results of th...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Journal of Multidisciplinary Modeling and Optimization
2021-03-01
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| Series: | Journal of Multidisciplinary Modeling and Optimization |
| Subjects: | |
| Online Access: | https://dergipark.org.tr/tr/pub/jmmo/issue/60925/823456 |