用从头算晶体场方法模拟固体。第16部分:2-(2-甲基-3-氯苯胺)烟酸几何结构的从头计算:气相和固态计算

K. Franckaerts, A. Peeters, A. T. H. Lenstra, C. Van Alsenoy
{"title":"用从头算晶体场方法模拟固体。第16部分:2-(2-甲基-3-氯苯胺)烟酸几何结构的从头计算:气相和固态计算","authors":"K. Franckaerts, A. Peeters, A. T. H. Lenstra, C. Van Alsenoy","doi":"10.1002/ejtc.50","DOIUrl":null,"url":null,"abstract":"","PeriodicalId":100404,"journal":{"name":"Electronic Journal of Theoretical Chemistry","volume":"2 1","pages":"168-179"},"PeriodicalIF":0.0000,"publicationDate":"2001-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/ejtc.50","citationCount":"3","resultStr":"{\"title\":\"Solids modeled by ab initio crystal field methods. Part 16: An ab initio study of the geometry of 2-(2-methyl-3-chloroanilino) nicotinic acid: gas phase and solid state calculations\",\"authors\":\"K. Franckaerts, A. Peeters, A. T. H. Lenstra, C. Van Alsenoy\",\"doi\":\"10.1002/ejtc.50\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"\",\"PeriodicalId\":100404,\"journal\":{\"name\":\"Electronic Journal of Theoretical Chemistry\",\"volume\":\"2 1\",\"pages\":\"168-179\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2001-03-15\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1002/ejtc.50\",\"citationCount\":\"3\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Electronic Journal of Theoretical Chemistry\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/ejtc.50\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Electronic Journal of Theoretical Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/ejtc.50","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 3

摘要图片

查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
Solids modeled by ab initio crystal field methods. Part 16: An ab initio study of the geometry of 2-(2-methyl-3-chloroanilino) nicotinic acid: gas phase and solid state calculations
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
自引率
0.00%
发文量
0
期刊最新文献
Gibbs paradox of entropy of mixing: experimental facts, its rejection and the theoretical consequences Explicit formulae for integrals of s and p type GTFs Ab initio study on fullerene C44 and its hydrogenates A quantum mechanical force field for amidocyano-pyridinium methylide. Force field transferability to the cycloimmonium ylides A theoretical study using ab initio triple-zeta basis sets of some mesoionic compounds
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1