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03039nam a22003735i 4500 |
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20210901081104.0 |
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cr nn 008mamaa |
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100803s2010 ne | s |||| 0|eng d |
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|a 9789048130344
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| 024 |
7 |
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|a 10.1007/978-90-481-3034-4
|2 doi
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| 040 |
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|a Sistema de Bibliotecas del Tecnológico de Costa Rica
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| 245 |
1 |
0 |
|a Kinetics and Dynamics :
|b From Nano- to Bio-Scale /
|c edited by Piotr Paneth, Agnieszka Dybala-Defratyka.
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| 250 |
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|a 1st ed. 2010.
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| 260 |
# |
# |
|a Dordrecht :
|b Springer Netherlands :
|b Imprint: Springer,
|c 2010.
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| 300 |
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|a XVIII, 530 p. :
|b online resource.
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| 336 |
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|a text
|b txt
|2 rdacontent
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| 337 |
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|a computer
|b c
|2 rdamedia
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| 338 |
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|a online resource
|b cr
|2 rdacarrier
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| 490 |
1 |
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|a Challenges and Advances in Computational Chemistry and Physics,
|v 12
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| 505 |
0 |
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|a Ca2+ Reactivity in the Gas Phase. Bonding, Catalytic Effects and Coulomb Explosions -- From the Gas Phase to a Lipid Membrane Environment: DFT and MD Simulations of Structure and Dynamics of Hydrogen-Bonded Solvates of Bifunctional Heteroazaaromatic Compounds -- Formamide as the Model Compound for Photodissociation Studies of the Peptide Bond -- Design of Catalysts for Asymmetric Organic Reactions Through Density Functional Calculations -- Reactive Processes with Molecular Simulations -- Theoretical Studies of Polymerisation Reactions -- Evaluation of Proton Transfer in DNA Constituents: Development and Application of Ab Initio Based Reaction Kinetics -- Simulation of Charge Transfer in DNA -- Quantum-Mechanical Molecular Dynamics of Charge Transfer -- Beyond Standard Quantum Chemical Semi-Classic Approaches: Towards a Quantum Theory of Enzyme Catalysis -- Molecular Dynamics Simulations: Difficulties, Solutions and Strategies for Treating Metalloenzymes -- QM/MM Energy Functions, Configuration Optimizations, and Free Energy Simulations of Enzyme Catalysis -- Computational Modeling of Biological Systems: The LDH Story -- Enzyme Dynamics and Catalysis: Insights from Simulations -- Transport Mechanism in the Escherichia coli Ammonia Channel AmtB: A Computational Study -- Challenges for Computer Simulations in Drug Design -- Interpretation of Kinetic Isotope Effects in Enzymatic Cleavage of Carbon-Hydrogen Bonds -- Tunneling Transmission Coefficients: Toward More Accurate and Practical Implementations -- Integrating Computational Methods with Experiment Uncovers the Role of Dynamics in Enzyme-Catalysed H-Tunnelling Reactions.
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| 650 |
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0 |
|a Chemistry, Physical and theoretical.
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| 650 |
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0 |
|a Physical chemistry.
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| 650 |
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0 |
|a Materials science.
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| 650 |
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0 |
|a Molecular biology.
|
| 650 |
1 |
4 |
|a Theoretical and Computational Chemistry.
|
| 650 |
2 |
4 |
|a Physical Chemistry.
|
| 650 |
2 |
4 |
|a Materials Science, general.
|
| 650 |
2 |
4 |
|a Molecular Medicine.
|
| 700 |
1 |
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|a Paneth, Piotr.
|e editor.
|
| 700 |
1 |
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|a Dybala-Defratyka, Agnieszka.
|e editor.
|
| 710 |
2 |
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|a SpringerLink (Online service)
|
| 773 |
0 |
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|t Springer eBooks
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| 900 |
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|a Libro descargado a ALEPH en bloque (proveniente de proveedor)
|