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Explorations of the nature of the coupling interactions between vitamin C and methylglyoxal: a DFT study

โœ 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 Hartreeโ€“Fock 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