New Directions in the Modeling of Organometallic Reactions - Topics in Organometallic Chemistry
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Published By Springer International Publishing

9783030569952, 9783030569969

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Characterizing the Metal–Ligand Bond Strength via Vibrational Spectroscopy: The Metal–Ligand Electronic Parameter (MLEP)

New Directions in the Modeling of Organometallic Reactions - Topics in Organometallic Chemistry ◽

10.1007/3418_2020_48 ◽

2020 ◽

pp. 227-269

Author(s):

Elfi Kraka ◽

Marek Freindorf

Keyword(s):

Bond Strength ◽

Vibrational Spectroscopy ◽

Electronic Parameter ◽

Metal Ligand ◽

Ligand Bond

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What Makes a Good (Computed) Energy Profile?

New Directions in the Modeling of Organometallic Reactions - Topics in Organometallic Chemistry ◽

10.1007/3418_2020_57 ◽

2020 ◽

pp. 1-38

Author(s):

Odile Eisenstein ◽

Gregori Ujaque ◽

Agustí Lledós

Keyword(s):

Energy Profile

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Ligand Design for Asymmetric Catalysis: Combining Mechanistic and Chemoinformatics Approaches

New Directions in the Modeling of Organometallic Reactions - Topics in Organometallic Chemistry ◽

10.1007/3418_2020_47 ◽

2020 ◽

pp. 153-189

Author(s):

Ruchuta Ardkhean ◽

Stephen P. Fletcher ◽

Robert S. Paton

Keyword(s):

Asymmetric Catalysis ◽

Ligand Design

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Mechanisms of Metal-Catalyzed Electrophilic F/CF3/SCF3 Transfer Reactions from Quantum Chemical Calculations

New Directions in the Modeling of Organometallic Reactions - Topics in Organometallic Chemistry ◽

10.1007/3418_2020_45 ◽

2020 ◽

pp. 39-56 ◽

Cited By ~ 2

Author(s):

Binh Khanh Mai ◽

Fahmi Himo

Keyword(s):

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Transfer Reactions ◽

Metal Catalyzed

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Computational Modeling of Selected Photoactivated Processes

New Directions in the Modeling of Organometallic Reactions - Topics in Organometallic Chemistry ◽

10.1007/3418_2020_50 ◽

2020 ◽

pp. 131-152

Author(s):

Adiran de Aguirre ◽

Victor M. Fernandez-Alvarez ◽

Feliu Maseras

Keyword(s):

Computational Modeling

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Artificial Force-Induced Reaction Method for Systematic Elucidation of Mechanism and Selectivity in Organometallic Reactions

New Directions in the Modeling of Organometallic Reactions - Topics in Organometallic Chemistry ◽

10.1007/3418_2020_51 ◽

2020 ◽

pp. 57-80 ◽

Cited By ~ 1

Author(s):

Miho Hatanaka ◽

Takayoshi Yoshimura ◽

Satoshi Maeda

Keyword(s):

Reaction Method ◽

Organometallic Reactions ◽

Induced Reaction

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Dealing with Spin States in Computational Organometallic Catalysis

New Directions in the Modeling of Organometallic Reactions - Topics in Organometallic Chemistry ◽

10.1007/3418_2020_49 ◽

2020 ◽

pp. 191-226 ◽

Cited By ~ 1

Author(s):

Marcel Swart

Keyword(s):

Spin States ◽

Organometallic Catalysis

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A Quantitative Approach to Understanding Reactivity in Organometallic Chemistry

New Directions in the Modeling of Organometallic Reactions - Topics in Organometallic Chemistry ◽

10.1007/3418_2020_43 ◽

2020 ◽

pp. 107-130

Author(s):

Israel Fernández

Keyword(s):

Organometallic Chemistry ◽

Quantitative Approach

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DFT-Based Microkinetic Simulations: A Bridge Between Experiment and Theory in Synthetic Chemistry

New Directions in the Modeling of Organometallic Reactions - Topics in Organometallic Chemistry ◽

10.1007/3418_2020_44 ◽

2020 ◽

pp. 81-105 ◽

Cited By ~ 1

Author(s):

Martín Jaraíz

Keyword(s):

Synthetic Chemistry

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New Directions in the Modeling of Organometallic Reactions - Topics in Organometallic ChemistryLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer International Publishing

Characterizing the Metal–Ligand Bond Strength via Vibrational Spectroscopy: The Metal–Ligand Electronic Parameter (MLEP)

What Makes a Good (Computed) Energy Profile?

Ligand Design for Asymmetric Catalysis: Combining Mechanistic and Chemoinformatics Approaches

Mechanisms of Metal-Catalyzed Electrophilic F/CF3/SCF3 Transfer Reactions from Quantum Chemical Calculations

Computational Modeling of Selected Photoactivated Processes

Artificial Force-Induced Reaction Method for Systematic Elucidation of Mechanism and Selectivity in Organometallic Reactions

Dealing with Spin States in Computational Organometallic Catalysis

A Quantitative Approach to Understanding Reactivity in Organometallic Chemistry

DFT-Based Microkinetic Simulations: A Bridge Between Experiment and Theory in Synthetic Chemistry

New Directions in the Modeling of Organometallic Reactions - Topics in Organometallic Chemistry
Latest Publications