{"title":"研究各种形式谷氨酰胺的DFT分析","authors":"B. Ganiev, U. Mardonov, Z. Ashurov","doi":"10.32523/2616-6771-2023-142-1-29-35","DOIUrl":null,"url":null,"abstract":"This paper presents the results of DFTanalysis and electron-structural and coordination properties, boundary molecular orbitals and descriptors of global reactivity of various forms of glutamine, using quantum-chemical calculation.For glutamine, the MEP was calculated using the DFT/B3LYP program, the basis 6-311G++(d,p) and the surface of the molecular electrostatic potential was constructed","PeriodicalId":9396,"journal":{"name":"BULLETIN of the L.N. Gumilyov Eurasian National University. Chemistry. Geography. Ecology Series","volume":"12 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"STUDYING DFT ANALYSIS OF VARIOUS FORMS OF GLUTAMINE\",\"authors\":\"B. Ganiev, U. Mardonov, Z. Ashurov\",\"doi\":\"10.32523/2616-6771-2023-142-1-29-35\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"This paper presents the results of DFTanalysis and electron-structural and coordination properties, boundary molecular orbitals and descriptors of global reactivity of various forms of glutamine, using quantum-chemical calculation.For glutamine, the MEP was calculated using the DFT/B3LYP program, the basis 6-311G++(d,p) and the surface of the molecular electrostatic potential was constructed\",\"PeriodicalId\":9396,\"journal\":{\"name\":\"BULLETIN of the L.N. Gumilyov Eurasian National University. Chemistry. Geography. Ecology Series\",\"volume\":\"12 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"BULLETIN of the L.N. Gumilyov Eurasian National University. Chemistry. Geography. Ecology Series\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.32523/2616-6771-2023-142-1-29-35\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"BULLETIN of the L.N. Gumilyov Eurasian National University. Chemistry. Geography. Ecology Series","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.32523/2616-6771-2023-142-1-29-35","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
STUDYING DFT ANALYSIS OF VARIOUS FORMS OF GLUTAMINE
This paper presents the results of DFTanalysis and electron-structural and coordination properties, boundary molecular orbitals and descriptors of global reactivity of various forms of glutamine, using quantum-chemical calculation.For glutamine, the MEP was calculated using the DFT/B3LYP program, the basis 6-311G++(d,p) and the surface of the molecular electrostatic potential was constructed
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