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Practical Aspects of Computational Chemistry I (Record no. 28171)

000 -LEADER
fixed length control field 04379nam a22003975i 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 120101s2012 ne | s |||| 0|eng d
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number 9789400709195
978-94-007-0919-5
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,
-- 2012.
912 ## -
-- ZDB-2-CMS
100 1# - MAIN ENTRY--PERSONAL NAME
Personal name Leszczynski, Jerzy.
Relator term editor.
245 10 - IMMEDIATE SOURCE OF ACQUISITION NOTE
Title Practical Aspects of Computational Chemistry I
Medium [electronic resource] :
Remainder of title An Overview of the Last Two Decades and Current Trends /
Statement of responsibility, etc edited by Jerzy Leszczynski, Manoj K. Shukla.
300 ## - PHYSICAL DESCRIPTION
Extent XVI, 680 p.
Other physical details online resource.
505 0# - FORMATTED CONTENTS NOTE
Formatted contents note Models—experiment—computation: a history of ideas in structural chemistry -- Many-Body Brillouin-Wigner Theories: Development and Prospects -- Multireference state-specific coupled cluster theory with a complete active space reference -- Relativistic effects in chemistry and a two-Component theory -- On the electronic, vibrational and relativistic contributions to the linear and nonlinear optical properties of molecules -- Using Chebyshev-Filtered Subspace Iteration and Windowing Methods to Solve the Kohn-Sham Problem -- Electronic structure of solids and surfaces with WIEN2k -- Model core potential method in the first decade of the XXI century -- Practical Aspects of Quantum Monte Carlo for the Electronic Structure of Molecules -- Relativistic Quantum Monte Carlo Method -- Computer Aided Nanomaterials Design – Selfassembly, Nanooptics, Molecular electronics/spintronics, and Fast DNA sequencing -- Computational Molecular Engineering for Nanodevices and Nanosystems -- Theoretical Studies of Thymine-Thymine Photodimerization: Using Ground State Dynamics to Model Photoreaction.
520 ## - SUMMARY, ETC.
Summary, etc Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends gathers the advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title itself reflects the celebration of the twentieth anniversary of the “Conference on Current Trends in Computational Chemistry (CCTCC)” to which all authors have participated and contributed to its success. This volume poses (and answered) important questions of interest to the computational chemistry community and beyond. What is the historical background of the “Structural Chemistry”? Is there any way to avoid the problem of intruder state in the multi-reference formulation? What is the recent progress on multi-reference coupled cluster theory? Starting with a historical account of structural chemistry, the book focuses on the recent advances made in promising theories such as many body Brillouin-Wigner theory, multireference state-specific coupled cluster theory, relativistic effect in chemistry, linear and nonlinear optical properties of molecules, solution to Kohn-Sham problem, electronic structure of solid state materials, development of model core potential, quantum Monte Carlo method, nano and molecular electronics, dynamics of photodimerization and excited states, intermolecular interactions, hydrogen bonding and non-hydrogen bonding interactions, conformational flexibility, metal cations in zeolite catalyst and interaction of nucleic acid bases with minerals. This volume is aimed at theoretical and computational chemists, physical chemists, materials scientists, and particularly those who are eager to apply computational chemistry methods to problem of chemical and physical importance. This book will provide valuable information to undergraduate, graduate, and PhD students as well as to established researchers.
650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Chemistry.
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 Theoretical, Mathematical and Computational Physics.
700 1# - ADDED ENTRY--PERSONAL NAME
Personal name Shukla, Manoj K.
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 9789400709188
856 40 - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier http://dx.doi.org/10.1007/978-94-007-0919-5
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