发布求助
文献互助 智能选刊 最新文献

Advances in Inorganic Chemistry最新文献

筛选
英文 中文
Dealing with Complexity in Open-Shell Transition Metal Chemistry from a Theoretical Perspective 从理论角度处理开壳过渡金属化学的复杂性
4区 化学
Advances in Inorganic Chemistry Pub Date : 2010-01-01 DOI: 10.1016/S0898-8838(10)62008-9
F. Neese, W. Ames, G. Christian, Mario Kampa, D. Liakos, D. Pantazis, Michael Roemelt, Panida Surawatanawong, Y. Shengfa
{"title":"Dealing with Complexity in Open-Shell Transition Metal Chemistry from a Theoretical Perspective","authors":"F. Neese, W. Ames, G. Christian, Mario Kampa, D. Liakos, D. Pantazis, Michael Roemelt, Panida Surawatanawong, Y. Shengfa","doi":"10.1016/S0898-8838(10)62008-9","DOIUrl":"https://doi.org/10.1016/S0898-8838(10)62008-9","url":null,"abstract":"","PeriodicalId":50861,"journal":{"name":"Advances in Inorganic Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2010-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79633113","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 32
Simulations of Liquids and Solutions Based on Quantum Mechanical Forces 基于量子力学力的液体和溶液模拟
4区 化学
Advances in Inorganic Chemistry Pub Date : 2010-01-01 DOI: 10.1016/S0898-8838(10)62004-1
T. Hofer, B. Rode, A. Pribil, B. Randolf
{"title":"Simulations of Liquids and Solutions Based on Quantum Mechanical Forces","authors":"T. Hofer, B. Rode, A. Pribil, B. Randolf","doi":"10.1016/S0898-8838(10)62004-1","DOIUrl":"https://doi.org/10.1016/S0898-8838(10)62004-1","url":null,"abstract":"","PeriodicalId":50861,"journal":{"name":"Advances in Inorganic Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2010-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83113614","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 51
Vibronic coupling in inorganic systems: Photochemistry, conical intersections, and the jahn-teller and pseudo-jahn-teller effects 无机系统中的振动耦合:光化学，锥形交叉，jahn-teller和伪jahn-teller效应
4区 化学
Advances in Inorganic Chemistry Pub Date : 2010-01-01 DOI: 10.1016/S0898-8838(10)62009-0
Russell G. McKinlay, Justyna M. Żurek, M. Paterson
{"title":"Vibronic coupling in inorganic systems: Photochemistry, conical intersections, and the jahn-teller and pseudo-jahn-teller effects","authors":"Russell G. McKinlay, Justyna M. Żurek, M. Paterson","doi":"10.1016/S0898-8838(10)62009-0","DOIUrl":"https://doi.org/10.1016/S0898-8838(10)62009-0","url":null,"abstract":"","PeriodicalId":50861,"journal":{"name":"Advances in Inorganic Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2010-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80918344","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 24
Molecular Mechanics for Transition Metal Centers: From Coordination Complexes To Metalloproteins 过渡金属中心的分子力学:从配位配合物到金属蛋白
4区 化学
Advances in Inorganic Chemistry Pub Date : 2010-01-01 DOI: 10.1016/S0898-8838(10)62001-6
R. Deeth
{"title":"Molecular Mechanics for Transition Metal Centers: From Coordination Complexes To Metalloproteins","authors":"R. Deeth","doi":"10.1016/S0898-8838(10)62001-6","DOIUrl":"https://doi.org/10.1016/S0898-8838(10)62001-6","url":null,"abstract":"","PeriodicalId":50861,"journal":{"name":"Advances in Inorganic Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2010-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79243240","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 5
Spin Interactions in Cluster Chemistry 簇化学中的自旋相互作用
4区 化学
Advances in Inorganic Chemistry Pub Date : 2010-01-01 DOI: 10.1016/S0898-8838(10)62005-3
M. Podewitz, M. Reiher
{"title":"Spin Interactions in Cluster Chemistry","authors":"M. Podewitz, M. Reiher","doi":"10.1016/S0898-8838(10)62005-3","DOIUrl":"https://doi.org/10.1016/S0898-8838(10)62005-3","url":null,"abstract":"","PeriodicalId":50861,"journal":{"name":"Advances in Inorganic Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2010-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83647532","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 12
Theoretical Investigation of Solvent Effects and Complex Systems: Toward the calculations of bioinorganic systems from ab initio molecular dynamics simulations and static quantum chemistry 溶剂效应和复杂体系的理论研究:从从头算分子动力学模拟和静态量子化学走向生物无机体系的计算
4区 化学
Advances in Inorganic Chemistry Pub Date : 2010-01-01 DOI: 10.1016/S0898-8838(10)62003-X
Marc Brüssel, Stefan Zahn, E. Hey‐Hawkins, B. Kirchner
{"title":"Theoretical Investigation of Solvent Effects and Complex Systems: Toward the calculations of bioinorganic systems from ab initio molecular dynamics simulations and static quantum chemistry","authors":"Marc Brüssel, Stefan Zahn, E. Hey‐Hawkins, B. Kirchner","doi":"10.1016/S0898-8838(10)62003-X","DOIUrl":"https://doi.org/10.1016/S0898-8838(10)62003-X","url":null,"abstract":"","PeriodicalId":50861,"journal":{"name":"Advances in Inorganic Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2010-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79449156","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 9
Inner- and Outer-Sphere Hydrogenation Mechanisms: A Computational Perspective 内球和外球氢化机制:一个计算的视角
4区 化学
Advances in Inorganic Chemistry Pub Date : 2010-01-01 DOI: 10.1016/S0898-8838(10)62006-5
A. Comas‐Vives, Gregori Ujaque, A. Lledós
{"title":"Inner- and Outer-Sphere Hydrogenation Mechanisms: A Computational Perspective","authors":"A. Comas‐Vives, Gregori Ujaque, A. Lledós","doi":"10.1016/S0898-8838(10)62006-5","DOIUrl":"https://doi.org/10.1016/S0898-8838(10)62006-5","url":null,"abstract":"","PeriodicalId":50861,"journal":{"name":"Advances in Inorganic Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2010-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84630418","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 26
Elementary Reactions in Polynuclear Ions and Aqueous–Mineral Interfaces: A New Geology 多核离子的基本反应与水-矿物界面:一个新的地质学
4区 化学
Advances in Inorganic Chemistry Pub Date : 2010-01-01 DOI: 10.1016/S0898-8838(10)62010-7
J. Rustad
{"title":"Elementary Reactions in Polynuclear Ions and Aqueous–Mineral Interfaces: A New Geology","authors":"J. Rustad","doi":"10.1016/S0898-8838(10)62010-7","DOIUrl":"https://doi.org/10.1016/S0898-8838(10)62010-7","url":null,"abstract":"","PeriodicalId":50861,"journal":{"name":"Advances in Inorganic Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2010-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89069369","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 7
Controlling Platinum, Ruthenium and Osmium Reactivity for Anticancer Drug Design. 控制铂、钌和锇在抗癌药物设计中的反应活性。
4区 化学
Advances in Inorganic Chemistry Pub Date : 2009-07-07 DOI: 10.1016/S0898-8838(09)00201-3
Pieter C A Bruijnincx, Peter J Sadler
{"title":"Controlling Platinum, Ruthenium and Osmium Reactivity for Anticancer Drug Design.","authors":"Pieter C A Bruijnincx, Peter J Sadler","doi":"10.1016/S0898-8838(09)00201-3","DOIUrl":"10.1016/S0898-8838(09)00201-3","url":null,"abstract":"","PeriodicalId":50861,"journal":{"name":"Advances in Inorganic Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2009-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3024542/pdf/ukmss-31731.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"29619537","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Molecular Recognition of Neutral and Charged Guests using Metallomacrocyclic Hosts 金属大环主体对中性和带电客体的分子识别
4区 化学
Advances in Inorganic Chemistry Pub Date : 2009-06-09 DOI: 10.1016/S0898-8838(06)59004-X
I. Korendovych, R. Roesner, E. Rybak-Akimova
{"title":"Molecular Recognition of Neutral and Charged Guests using Metallomacrocyclic Hosts","authors":"I. Korendovych, R. Roesner, E. Rybak-Akimova","doi":"10.1016/S0898-8838(06)59004-X","DOIUrl":"https://doi.org/10.1016/S0898-8838(06)59004-X","url":null,"abstract":"","PeriodicalId":50861,"journal":{"name":"Advances in Inorganic Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2009-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78922809","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 16
首页 上一页
0
×
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
请完成安全验证×
相关产品
×
本文献相关产品
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 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号：481959085
Book学术官方微信