Explorations of the nature of the coupling interactions between vitamin C and methylglyoxal: a DFT study
โ Scribed by Ping Li; Yazhou Zhai; Weihua Wang; Zhiying Ma; Siwei Bi; Haitao Sun
- Publisher
- Springer
- Year
- 2011
- Tongue
- English
- Weight
- 505 KB
- Volume
- 22
- Category
- Article
- ISSN
- 1040-0400
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## Abstract Intermolecular interaction energy decompositions using the Constrained Space Orbital Variation (CSOV) method are carried out at the HartreeโFock level on the one hand and using DFT with usual GGA functionals on the other for a number of model complexes to analyze the role of electron co