The Resource Transition Metals in Coordination Environments : Computational Chemistry and Catalysis Viewpoints, edited by Ewa Broclawik, Tomasz Borowski, Mariusz Radoń, (electronic resource)

Transition Metals in Coordination Environments : Computational Chemistry and Catalysis Viewpoints, edited by Ewa Broclawik, Tomasz Borowski, Mariusz Radoń, (electronic resource)

Label
Transition Metals in Coordination Environments : Computational Chemistry and Catalysis Viewpoints
Title
Transition Metals in Coordination Environments
Title remainder
Computational Chemistry and Catalysis Viewpoints
Statement of responsibility
edited by Ewa Broclawik, Tomasz Borowski, Mariusz Radoń
Contributor
Editor
Editor
Provider
Subject
Language
eng
Summary
This book focuses on the electronic properties of transition metals in coordination environments. These properties are responsible for the unique and intricate activity of transition metal sites in bio- and inorganic catalysis, but also pose challenges for both theoretical and experimental studies. Written by an international group of recognized experts, the book reviews recent advances in computational modeling and discusses their interplay using experiments. It covers a broad range of topics, including advanced computational methods for transition metal systems; spectroscopic, electrochemical and catalytic properties of transition metals in coordination environments; metalloenzymes and biomimetic compounds; and spin-related phenomena. As such, the book offers an invaluable resource for all researchers and postgraduate students interested in both fundamental and application-oriented research in the field of transition metal systems.
Member of
http://bibfra.me/vocab/relation/httpidlocgovvocabularyrelatorsedt
  • iUP4DlOHnq4
  • FWlKU-4w1qQ
  • 1Y8sABCZaEk
Image bit depth
0
LC call number
QD450-801
Literary form
non fiction
http://library.link/vocab/relatedWorkOrContributorName
  • Broclawik, Ewa.
  • Borowski, Tomasz.
  • Radoń, Mariusz.
  • SpringerLink
Series statement
Challenges and Advances in Computational Chemistry and Physics,
Series volume
29
http://library.link/vocab/subjectName
  • Chemistry
  • Catalysis
  • Physical organic chemistry
  • Bioorganic chemistry
  • Chemistry, inorganic
  • Theoretical and Computational Chemistry
  • Catalysis
  • Physical Chemistry
  • Bioorganic Chemistry
  • Inorganic Chemistry
Label
Transition Metals in Coordination Environments : Computational Chemistry and Catalysis Viewpoints, edited by Ewa Broclawik, Tomasz Borowski, Mariusz Radoń, (electronic resource)
Instantiates
Publication
Antecedent source
mixed
Carrier category
online resource
Carrier category code
cr
Carrier MARC source
rdacarrier
Color
not applicable
Content category
text
Content type code
txt
Content type MARC source
rdacontent
Contents
From the content: Review of the current status of knowledge in the field of recent achievements in computational modeling and their interplay with experiment -- Density matrix renormalization group (DMRG): An emerging method in bioinorganic chemistry -- Approaching magnetic interactions in oligonuclear transition metal clusters with density matrix renormalization group -- New strategies in modelling electronic structures and properties in actinides -- X-ray probes of electronic structure in transition metal complexes -- Electronic spectroscopy of cobalamins studied with density functional theory -- Spin magnetic properties of transition metal complexes -- Computational studies of transition-metal catalysis in biological and non-biological settings -- The role of non-covalent interactions in metal complexes -- Molecular electrochemistry of coordination compounds - a correlation between quantum-chemical calculations and experiment -- Computational modelling of structure and catalytic properties of supported group VI transition metal oxide species -- Catalytic properties of TM in inorganic coordination environments -- Challenges in modeling metalloenzymes and their troubleshooting -- The quest for accurate theoretical models of metalloenzymes: an aid to experiment -- Metal coordination in the active sites of selected metalloenzymes: a theoretical point of view -- Metal - redox-active ligand cooperation in biomimetic transition metal compounds to exhibit metal-centered multi-electron reactivity -- Computational vs. experimental spectroscopy for transition-metals -- The electronic determinants of spin crossover described by density functional theory -- Photodeactivation channels of transition metal complexes: a computational chemistry perspective
Dimensions
unknown
Extent
XV, 532 p. 209 illus., 171 illus. in color.
File format
multiple file formats
Form of item
electronic
Isbn
9783030117146
Level of compression
uncompressed
Media category
computer
Media MARC source
rdamedia
Media type code
c
Other control number
10.1007/978-3-030-11714-6
Other physical details
online resource.
Quality assurance targets
absent
Reformatting quality
access
Specific material designation
remote
System control number
(DE-He213)978-3-030-11714-6
Label
Transition Metals in Coordination Environments : Computational Chemistry and Catalysis Viewpoints, edited by Ewa Broclawik, Tomasz Borowski, Mariusz Radoń, (electronic resource)
Publication
Antecedent source
mixed
Carrier category
online resource
Carrier category code
cr
Carrier MARC source
rdacarrier
Color
not applicable
Content category
text
Content type code
txt
Content type MARC source
rdacontent
Contents
From the content: Review of the current status of knowledge in the field of recent achievements in computational modeling and their interplay with experiment -- Density matrix renormalization group (DMRG): An emerging method in bioinorganic chemistry -- Approaching magnetic interactions in oligonuclear transition metal clusters with density matrix renormalization group -- New strategies in modelling electronic structures and properties in actinides -- X-ray probes of electronic structure in transition metal complexes -- Electronic spectroscopy of cobalamins studied with density functional theory -- Spin magnetic properties of transition metal complexes -- Computational studies of transition-metal catalysis in biological and non-biological settings -- The role of non-covalent interactions in metal complexes -- Molecular electrochemistry of coordination compounds - a correlation between quantum-chemical calculations and experiment -- Computational modelling of structure and catalytic properties of supported group VI transition metal oxide species -- Catalytic properties of TM in inorganic coordination environments -- Challenges in modeling metalloenzymes and their troubleshooting -- The quest for accurate theoretical models of metalloenzymes: an aid to experiment -- Metal coordination in the active sites of selected metalloenzymes: a theoretical point of view -- Metal - redox-active ligand cooperation in biomimetic transition metal compounds to exhibit metal-centered multi-electron reactivity -- Computational vs. experimental spectroscopy for transition-metals -- The electronic determinants of spin crossover described by density functional theory -- Photodeactivation channels of transition metal complexes: a computational chemistry perspective
Dimensions
unknown
Extent
XV, 532 p. 209 illus., 171 illus. in color.
File format
multiple file formats
Form of item
electronic
Isbn
9783030117146
Level of compression
uncompressed
Media category
computer
Media MARC source
rdamedia
Media type code
c
Other control number
10.1007/978-3-030-11714-6
Other physical details
online resource.
Quality assurance targets
absent
Reformatting quality
access
Specific material designation
remote
System control number
(DE-He213)978-3-030-11714-6

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