Pub Date : 2010-01-01DOI: 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":"75 1 1","pages":""},"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}
Pub Date : 2010-01-01DOI: 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":"53 57 1","pages":"143-175"},"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}
Pub Date : 2010-01-01DOI: 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":"77 1","pages":"351-390"},"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}
Pub Date : 2010-01-01DOI: 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":"11 1","pages":"1-39"},"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}
Pub Date : 2010-01-01DOI: 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":"41 7 1","pages":"177-230"},"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}
Pub Date : 2010-01-01DOI: 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":"121 1","pages":"111-142"},"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}
Pub Date : 2010-01-01DOI: 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":"SE-4 1","pages":"231-260"},"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}
Pub Date : 2010-01-01DOI: 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":"43 1","pages":"391-436"},"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}
Pub Date : 2009-07-07DOI: 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":"61 ","pages":"1-62"},"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}
Pub Date : 2009-06-09DOI: 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":"333 1","pages":"109-173"},"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}
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