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Kinetics and Dynamics (Record no. 28134)

000 -LEADER
fixed length control field 04576nam a22004695i 4500
003 - CONTROL NUMBER IDENTIFIER
control field OSt
005 - DATE AND TIME OF LATEST TRANSACTION
control field 20140310153335.0
007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION
fixed length control field cr nn 008mamaa
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION
fixed length control field 100803s2010 ne | s |||| 0|eng d
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number 9789048130344
978-90-481-3034-4
050 #4 - LIBRARY OF CONGRESS CALL NUMBER
Classification number QD450-801
082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER
Classification number 541.2
Edition number 23
264 #1 -
-- Dordrecht :
-- Springer Netherlands :
-- Imprint: Springer,
-- 2010.
912 ## -
-- ZDB-2-CMS
100 1# - MAIN ENTRY--PERSONAL NAME
Personal name Paneth, Piotr.
Relator term editor.
245 10 - IMMEDIATE SOURCE OF ACQUISITION NOTE
Title Kinetics and Dynamics
Medium [electronic resource] :
Remainder of title From Nano- to Bio-Scale /
Statement of responsibility, etc edited by Piotr Paneth, Agnieszka Dybala-Defratyka.
300 ## - PHYSICAL DESCRIPTION
Extent XVIII, 530 p.
Other physical details online resource.
440 1# - SERIES STATEMENT/ADDED ENTRY--TITLE
Title Challenges and Advances in Computational Chemistry and Physics ;
Volume number/sequential designation 12
505 0# - FORMATTED CONTENTS NOTE
Formatted contents note 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.
520 ## - SUMMARY, ETC.
Summary, etc Computational chemistry is a rapidly developing discipline. This is due to the development of faster algorithms and the increasing power of computers. This book explores the novel applications of these computational tools by focusing on studies which feature chemical and biochemical reactions at various scales and environments. Kinetics and Dynamics: from Nano- to Bio-Scale presents numerous examples which range from simple reactions in the gas phase to polymerization to complex biochemical systems. The reader is shown how the complexity of these systems necessitates the use of different theoretical approaches and methodologies hence broadening our understanding of these fundamental phenomena. Kinetics and Dynamics: from Nano- to Bio- Scale consists of a collection of chapters written by experts in the field. Their contributions have been selected to illustrate a variety of systems and techniques. Whilst it is impossible to be exhaustive on this subject within a single volume, an attempt has been made to describe different systems of interest in the life sciences. This book provides contemporary and comprehensive reference material. It is useful for graduate students as well as independent scientists either entering the field of computational chemistry for the first time or those who are aiming to augment their expertise.
650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Chemistry.
Topical term or geographic name as entry element Medicine.
Topical term or geographic name as entry element Chemistry, Physical organic.
Topical term or geographic name as entry element Materials.
Topical term or geographic name as entry element Chemistry.
Topical term or geographic name as entry element Theoretical and Computational Chemistry.
Topical term or geographic name as entry element Physical Chemistry.
Topical term or geographic name as entry element Materials Science, general.
Topical term or geographic name as entry element Molecular Medicine.
700 1# - ADDED ENTRY--PERSONAL NAME
Personal name Dybala-Defratyka, Agnieszka.
Relator term editor.
710 2# - ADDED ENTRY--CORPORATE NAME
Corporate name or jurisdiction name as entry element SpringerLink (Online service)
773 0# - HOST ITEM ENTRY
Title Springer eBooks
776 08 - ADDITIONAL PHYSICAL FORM ENTRY
Display text Printed edition:
International Standard Book Number 9789048130337
856 40 - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier http://dx.doi.org/10.1007/978-90-481-3034-4
942 ## - ADDED ENTRY ELEMENTS (KOHA)
Source of classification or shelving scheme
Item type E-Book
Copies
Price effective from Permanent location Date last seen Not for loan Date acquired Source of classification or shelving scheme Koha item type Damaged status Lost status Withdrawn status Current location Full call number
2014-04-14AUM Main Library2014-04-14 2014-04-14 E-Book   AUM Main Library541.2
Languages: 
English |
العربية