Pub Date : 2019-05-20DOI: 10.1007/978-3-030-11714-6_14
M. Quesne, S. P. Visser
{"title":"The Quest for Accurate Theoretical Models of Metalloenzymes: An Aid to Experiment","authors":"M. Quesne, S. P. Visser","doi":"10.1007/978-3-030-11714-6_14","DOIUrl":"https://doi.org/10.1007/978-3-030-11714-6_14","url":null,"abstract":"","PeriodicalId":252026,"journal":{"name":"Transition Metals in Coordination Environments","volume":"147 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116051354","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-04-29DOI: 10.1007/978-3-030-11714-6_5
Aleksandra Leszczyk, P. Tecmer, Katharina Boguslawski
{"title":"New Strategies in Modeling Electronic Structures and Properties with Applications to Actinides","authors":"Aleksandra Leszczyk, P. Tecmer, Katharina Boguslawski","doi":"10.1007/978-3-030-11714-6_5","DOIUrl":"https://doi.org/10.1007/978-3-030-11714-6_5","url":null,"abstract":"","PeriodicalId":252026,"journal":{"name":"Transition Metals in Coordination Environments","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"130512461","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 1900-01-01DOI: 10.1007/978-3-030-11714-6_16
T. Marino, Mario Prejanò, N. Russo
{"title":"How Metal Coordination in the Ca-, Ce-, and Eu-Containing Methanol Dehydrogenase Enzymes Can Influence the Catalysis: A Theoretical Point of View","authors":"T. Marino, Mario Prejanò, N. Russo","doi":"10.1007/978-3-030-11714-6_16","DOIUrl":"https://doi.org/10.1007/978-3-030-11714-6_16","url":null,"abstract":"","PeriodicalId":252026,"journal":{"name":"Transition Metals in Coordination Environments","volume":"192 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125391345","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 1900-01-01DOI: 10.1007/978-3-030-11714-6_11
J. Handzlik
{"title":"Computational Modelling of Structure and Catalytic Properties of Silica-Supported Group VI Transition Metal Oxide Species","authors":"J. Handzlik","doi":"10.1007/978-3-030-11714-6_11","DOIUrl":"https://doi.org/10.1007/978-3-030-11714-6_11","url":null,"abstract":"","PeriodicalId":252026,"journal":{"name":"Transition Metals in Coordination Environments","volume":"9 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"127937982","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 1900-01-01DOI: 10.1007/978-3-030-11714-6_13
Piotr P Romańczyk, S. Kurek
{"title":"Molecular Electrochemistry of Coordination Compounds—A Correlation Between Quantum Chemical Calculations and Experiment","authors":"Piotr P Romańczyk, S. Kurek","doi":"10.1007/978-3-030-11714-6_13","DOIUrl":"https://doi.org/10.1007/978-3-030-11714-6_13","url":null,"abstract":"","PeriodicalId":252026,"journal":{"name":"Transition Metals in Coordination Environments","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"130500884","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 1900-01-01DOI: 10.1007/978-3-030-11714-6_4
V. Krewald, D. Pantazis
{"title":"Applications of the Density Matrix Renormalization Group to Exchange-Coupled Transition Metal Systems","authors":"V. Krewald, D. Pantazis","doi":"10.1007/978-3-030-11714-6_4","DOIUrl":"https://doi.org/10.1007/978-3-030-11714-6_4","url":null,"abstract":"","PeriodicalId":252026,"journal":{"name":"Transition Metals in Coordination Environments","volume":"58 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"131645508","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 1900-01-01DOI: 10.1007/978-3-030-11714-6
E. Broclawik, T. Borowski, M. Radoń
{"title":"Transition Metals in Coordination Environments: Computational Chemistry and Catalysis Viewpoints","authors":"E. Broclawik, T. Borowski, M. Radoń","doi":"10.1007/978-3-030-11714-6","DOIUrl":"https://doi.org/10.1007/978-3-030-11714-6","url":null,"abstract":"","PeriodicalId":252026,"journal":{"name":"Transition Metals in Coordination Environments","volume":"146 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124626210","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 1900-01-01DOI: 10.1007/978-3-030-11714-6_15
H. Hirao
{"title":"Applications of Computational Chemistry to Selected Problems of Transition-Metal Catalysis in Biological and Nonbiological Systems","authors":"H. Hirao","doi":"10.1007/978-3-030-11714-6_15","DOIUrl":"https://doi.org/10.1007/978-3-030-11714-6_15","url":null,"abstract":"","PeriodicalId":252026,"journal":{"name":"Transition Metals in Coordination Environments","volume":"105 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"127299556","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 1900-01-01DOI: 10.1007/978-3-030-11714-6_7
M. Lundberg, Mickaël G. Delcey
{"title":"Multiconfigurational Approach to X-ray Spectroscopy of Transition Metal Complexes","authors":"M. Lundberg, Mickaël G. Delcey","doi":"10.1007/978-3-030-11714-6_7","DOIUrl":"https://doi.org/10.1007/978-3-030-11714-6_7","url":null,"abstract":"","PeriodicalId":252026,"journal":{"name":"Transition Metals in Coordination Environments","volume":"99 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132438580","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 1900-01-01DOI: 10.1007/978-3-030-11714-6_9
D. Escudero
{"title":"Photodeactivation Channels of Transition Metal Complexes: A Computational Chemistry Perspective","authors":"D. Escudero","doi":"10.1007/978-3-030-11714-6_9","DOIUrl":"https://doi.org/10.1007/978-3-030-11714-6_9","url":null,"abstract":"","PeriodicalId":252026,"journal":{"name":"Transition Metals in Coordination Environments","volume":"8 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"114256141","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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