Transition Metals in Coordination Environments - Challenges and Advances in Computational Chemistry and Physics
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Published By Springer International Publishing

9783030117139, 9783030117146

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Applications of the Density Matrix Renormalization Group to Exchange-Coupled Transition Metal Systems

Transition Metals in Coordination Environments - Challenges and Advances in Computational Chemistry and Physics ◽

10.1007/978-3-030-11714-6_4 ◽

2019 ◽

pp. 91-120 ◽

Cited By ~ 1

Author(s):

Vera Krewald ◽

Dimitrios A. Pantazis

Keyword(s):

Renormalization Group ◽

Transition Metal ◽

Density Matrix ◽

Density Matrix Renormalization Group ◽

Density Matrix Renormalization

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The Electronic Determinants of Spin Crossover Described by Density Functional Theory

Transition Metals in Coordination Environments - Challenges and Advances in Computational Chemistry and Physics ◽

10.1007/978-3-030-11714-6_1 ◽

2019 ◽

pp. 1-33

Author(s):

Kasper Planeta Kepp

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Spin Crossover ◽

Functional Theory

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The Quest for Accurate Theoretical Models of Metalloenzymes: An Aid to Experiment

Transition Metals in Coordination Environments - Challenges and Advances in Computational Chemistry and Physics ◽

10.1007/978-3-030-11714-6_14 ◽

2019 ◽

pp. 439-462

Author(s):

Matthew G. Quesne ◽

Sam P. de Visser

Keyword(s):

Theoretical Models

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Anisotropic Magnetic Spin Interactions of Transition Metal Complexes and Metalloenzymes from Spectroscopy and Quantum Chemistry

Transition Metals in Coordination Environments - Challenges and Advances in Computational Chemistry and Physics ◽

10.1007/978-3-030-11714-6_2 ◽

2019 ◽

pp. 35-64

Author(s):

Matthias Stein

Keyword(s):

Transition Metal ◽

Quantum Chemistry ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Spin Interactions ◽

Magnetic Spin

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Computational Versus Experimental Spectroscopy for Transition Metals

Transition Metals in Coordination Environments - Challenges and Advances in Computational Chemistry and Physics ◽

10.1007/978-3-030-11714-6_6 ◽

2019 ◽

pp. 161-183 ◽

Cited By ~ 1

Author(s):

Maja Gruden ◽

Wesley R. Browne ◽

Marcel Swart ◽

Carole Duboc

Keyword(s):

Transition Metals ◽

Experimental Spectroscopy

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Catalytic Properties of Selected Transition Metal Oxides—Computational Studies

Transition Metals in Coordination Environments - Challenges and Advances in Computational Chemistry and Physics ◽

10.1007/978-3-030-11714-6_12 ◽

2019 ◽

pp. 345-408

Author(s):

Witold Piskorz ◽

Filip Zasada

Keyword(s):

Transition Metal ◽

Metal Oxides ◽

Transition Metal Oxides ◽

Catalytic Properties ◽

Computational Studies

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Non-covalent Interactions in Selected Transition Metal Complexes

Transition Metals in Coordination Environments - Challenges and Advances in Computational Chemistry and Physics ◽

10.1007/978-3-030-11714-6_3 ◽

2019 ◽

pp. 65-89

Author(s):

Filip Sagan ◽

Mariusz P. Mitoraj

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Non Covalent Interactions ◽

Covalent Interactions

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Photodeactivation Channels of Transition Metal Complexes: A Computational Chemistry Perspective

Transition Metals in Coordination Environments - Challenges and Advances in Computational Chemistry and Physics ◽

10.1007/978-3-030-11714-6_9 ◽

2019 ◽

pp. 259-287

Author(s):

Daniel Escudero

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Computational Chemistry ◽

Transition Metal Complexes

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Mechanism and Kinetics in Homogeneous Catalysis: A Computational Viewpoint

Transition Metals in Coordination Environments - Challenges and Advances in Computational Chemistry and Physics ◽

10.1007/978-3-030-11714-6_10 ◽

2019 ◽

pp. 289-313

Author(s):

Jeremy N. Harvey

Keyword(s):

Homogeneous Catalysis ◽

Mechanism And Kinetics

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Molecular Electrochemistry of Coordination Compounds—A Correlation Between Quantum Chemical Calculations and Experiment

Transition Metals in Coordination Environments - Challenges and Advances in Computational Chemistry and Physics ◽

10.1007/978-3-030-11714-6_13 ◽

2019 ◽

pp. 409-438

Author(s):

Piotr P. Romańczyk ◽

Stefan S. Kurek

Keyword(s):

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Coordination Compounds

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Transition Metals in Coordination Environments - Challenges and Advances in Computational Chemistry and PhysicsLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer International Publishing

Applications of the Density Matrix Renormalization Group to Exchange-Coupled Transition Metal Systems

The Electronic Determinants of Spin Crossover Described by Density Functional Theory

The Quest for Accurate Theoretical Models of Metalloenzymes: An Aid to Experiment

Anisotropic Magnetic Spin Interactions of Transition Metal Complexes and Metalloenzymes from Spectroscopy and Quantum Chemistry

Computational Versus Experimental Spectroscopy for Transition Metals

Catalytic Properties of Selected Transition Metal Oxides—Computational Studies

Non-covalent Interactions in Selected Transition Metal Complexes

Photodeactivation Channels of Transition Metal Complexes: A Computational Chemistry Perspective

Mechanism and Kinetics in Homogeneous Catalysis: A Computational Viewpoint

Molecular Electrochemistry of Coordination Compounds—A Correlation Between Quantum Chemical Calculations and Experiment

Transition Metals in Coordination Environments - Challenges and Advances in Computational Chemistry and Physics
Latest Publications