{"title":"外电场对选定模型二肽的影响","authors":"J. Mazurkiewicz, P. Tomasik","doi":"10.3968/4294","DOIUrl":null,"url":null,"abstract":"Effect of external electric field (EEF) of 0.001, 0.005 and 0.01 a.u. upon molecular energy, charge distribution and dipole moments of non-dissociated and inner salt forms of selected dipeptides formed from alanine (Ala), glutamic acid (GluA), and ornithine (Orn) that is, Ala-Ala, Ala-GluA, GluA-Ala, Ala-Orn, Orn-Ala involving α-amino group of Orn and Orn-Ala involving δ-amino group of Orn. For that purpose HyperChem 8.0 software was used together with the AM1 method for optimization of the conformation of the molecules in a computer vacuum.","PeriodicalId":7348,"journal":{"name":"Advances in Natural Science","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2013-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"Effect of External Electric Field Upon Selected Model Dipeptides\",\"authors\":\"J. Mazurkiewicz, P. Tomasik\",\"doi\":\"10.3968/4294\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Effect of external electric field (EEF) of 0.001, 0.005 and 0.01 a.u. upon molecular energy, charge distribution and dipole moments of non-dissociated and inner salt forms of selected dipeptides formed from alanine (Ala), glutamic acid (GluA), and ornithine (Orn) that is, Ala-Ala, Ala-GluA, GluA-Ala, Ala-Orn, Orn-Ala involving α-amino group of Orn and Orn-Ala involving δ-amino group of Orn. For that purpose HyperChem 8.0 software was used together with the AM1 method for optimization of the conformation of the molecules in a computer vacuum.\",\"PeriodicalId\":7348,\"journal\":{\"name\":\"Advances in Natural Science\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2013-03-26\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Advances in Natural Science\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.3968/4294\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Advances in Natural Science","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.3968/4294","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Effect of External Electric Field Upon Selected Model Dipeptides
Effect of external electric field (EEF) of 0.001, 0.005 and 0.01 a.u. upon molecular energy, charge distribution and dipole moments of non-dissociated and inner salt forms of selected dipeptides formed from alanine (Ala), glutamic acid (GluA), and ornithine (Orn) that is, Ala-Ala, Ala-GluA, GluA-Ala, Ala-Orn, Orn-Ala involving α-amino group of Orn and Orn-Ala involving δ-amino group of Orn. For that purpose HyperChem 8.0 software was used together with the AM1 method for optimization of the conformation of the molecules in a computer vacuum.
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