Challenges and Advances in Computational Chemistry and Physics - Kinetics and Dynamics
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Published By Springer Netherlands

9789048130337, 9789048130344

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Simulation of Charge Transfer in DNA

Challenges and Advances in Computational Chemistry and Physics - Kinetics and Dynamics ◽

10.1007/978-90-481-3034-4_8 ◽

2010 ◽

pp. 213-245

Author(s):

Tomáš Kubař ◽

Marcus Elstner

Keyword(s):

Charge Transfer ◽

Charge Transfer In Dna

Theoretical Studies of Polymerisation Reactions

Challenges and Advances in Computational Chemistry and Physics - Kinetics and Dynamics ◽

10.1007/978-90-481-3034-4_6 ◽

2010 ◽

pp. 157-186

Author(s):

Marek Cypryk ◽

Grzegorz Krasiński

Keyword(s):

Theoretical Studies

Integrating Computational Methods with Experiment Uncovers the Role of Dynamics in Enzyme-Catalysed H-Tunnelling Reactions

Challenges and Advances in Computational Chemistry and Physics - Kinetics and Dynamics ◽

10.1007/978-90-481-3034-4_19 ◽

2010 ◽

pp. 501-519

Author(s):

Linus O. Johannissen ◽

Sam Hay ◽

Jiayun Pang ◽

Michael J. Sutcliffe ◽

Nigel S. Scrutton

Keyword(s):

Computational Methods

Design of Catalysts for Asymmetric Organic Reactions Through Density Functional Calculations

Challenges and Advances in Computational Chemistry and Physics - Kinetics and Dynamics ◽

10.1007/978-90-481-3034-4_4 ◽

2010 ◽

pp. 107-136 ◽

Cited By ~ 2

Author(s):

C. B. Shinisha ◽

Deepa Janardanan ◽

Raghavan B. Sunoj

Keyword(s):

Density Functional Calculations ◽

Density Functional ◽

Organic Reactions

Interpretation of Kinetic Isotope Effects in Enzymatic Cleavage of Carbon-Hydrogen Bonds

Challenges and Advances in Computational Chemistry and Physics - Kinetics and Dynamics ◽

10.1007/978-90-481-3034-4_17 ◽

2010 ◽

pp. 465-479

Author(s):

Willem Siebrand ◽

Zorka Smedarchina

Keyword(s):

Hydrogen Bonds ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Enzymatic Cleavage ◽

Kinetic Isotope ◽

Carbon Hydrogen Bonds

QM/MM Energy Functions, Configuration Optimizations, and Free Energy Simulations of Enzyme Catalysis

Challenges and Advances in Computational Chemistry and Physics - Kinetics and Dynamics ◽

10.1007/978-90-481-3034-4_12 ◽

2010 ◽

pp. 331-353

Author(s):

Haiyan Liu

Keyword(s):

Free Energy ◽

Enzyme Catalysis ◽

Energy Functions ◽

Energy Simulations

Evaluation of Proton Transfer in DNA Constituents: Development and Application of Ab Initio Based Reaction Kinetics

Challenges and Advances in Computational Chemistry and Physics - Kinetics and Dynamics ◽

10.1007/978-90-481-3034-4_7 ◽

2010 ◽

pp. 187-211

Author(s):

Dmytro Kosenkov ◽

Yana Kholod ◽

Leonid Gorb ◽

Jerzy Leszczynski

Keyword(s):

Proton Transfer ◽

Ab Initio ◽

Reaction Kinetics ◽

Dna Constituents

Formamide as the Model Compound for Photodissociation Studies of the Peptide Bond

Challenges and Advances in Computational Chemistry and Physics - Kinetics and Dynamics ◽

10.1007/978-90-481-3034-4_3 ◽

2010 ◽

pp. 77-106 ◽

Cited By ~ 6

Author(s):

Mirjana Eckert-Maksić ◽

Ivana Antol ◽

Mario Vazdar ◽

Mario Barbatti ◽

Hans Lischka

Keyword(s):

Model Compound ◽

Peptide Bond

Transport Mechanism in the Escherichia coli Ammonia Channel AmtB: A Computational Study

Challenges and Advances in Computational Chemistry and Physics - Kinetics and Dynamics ◽

10.1007/978-90-481-3034-4_15 ◽

2010 ◽

pp. 397-429

Author(s):

Yirong Mo ◽

Zexing Cao ◽

Yuchun Lin

Keyword(s):

Escherichia Coli ◽

Transport Mechanism ◽

Computational Study

Reactive Processes with Molecular Simulations

Challenges and Advances in Computational Chemistry and Physics - Kinetics and Dynamics ◽

10.1007/978-90-481-3034-4_5 ◽

2010 ◽

pp. 137-155 ◽

Cited By ~ 2

Author(s):

Sabyashachi Mishra ◽

Markus Meuwly

Keyword(s):

Molecular Simulations ◽

Reactive Processes

Challenges and Advances in Computational Chemistry and Physics - Kinetics and DynamicsLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer Netherlands

Simulation of Charge Transfer in DNA

Theoretical Studies of Polymerisation Reactions

Integrating Computational Methods with Experiment Uncovers the Role of Dynamics in Enzyme-Catalysed H-Tunnelling Reactions

Design of Catalysts for Asymmetric Organic Reactions Through Density Functional Calculations

Interpretation of Kinetic Isotope Effects in Enzymatic Cleavage of Carbon-Hydrogen Bonds

QM/MM Energy Functions, Configuration Optimizations, and Free Energy Simulations of Enzyme Catalysis

Evaluation of Proton Transfer in DNA Constituents: Development and Application of Ab Initio Based Reaction Kinetics

Formamide as the Model Compound for Photodissociation Studies of the Peptide Bond

Transport Mechanism in the Escherichia coli Ammonia Channel AmtB: A Computational Study

Reactive Processes with Molecular Simulations

Challenges and Advances in Computational Chemistry and Physics - Kinetics and Dynamics
Latest Publications