Practical aspects of computational chemistry : (Record no. 44292)

MARC details
000 -LEADER
fixed length control field 02459cam a22004097a 4500
003 - CONTROL NUMBER IDENTIFIER
control field CUTN
005 - DATE AND TIME OF LATEST TRANSACTION
control field 20250516153502.0
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION
fixed length control field 090413s2009 gw a b 001 0 eng d
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number 9789048126866
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number 904812686X
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number 9789048126873 (eISBN)
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number 9048126878 (eISBN)
041 ## - LANGUAGE CODE
Language English
042 ## - AUTHENTICATION CODE
Authentication code lccopycat
082 ## - DEWEY DECIMAL CLASSIFICATION NUMBER
Classification number 541.28
Item number LES
084 ## - OTHER CLASSIFICATION NUMBER
Classification number VC 6100
Source of number rvk
245 00 - TITLE STATEMENT
Title Practical aspects of computational chemistry :
Remainder of title methods, concepts and applications /
Statement of responsibility, etc Jerzy Leszczynski, Manoj K. Shukla, editors.
260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT)
Place of publication, distribution, etc Heidelberg ;
-- New York :
Name of publisher, distributor, etc Springer,
Date of publication, distribution, etc c2009.
300 ## - PHYSICAL DESCRIPTION
Extent xvii, 465 p. :
Other physical details ill. (some col.) ;
Dimensions 15.6 x 2.69 x 23.39 cm
520 ## - SUMMARY, ETC.
Summary, etc Practical Aspects of Computational Chemistry" presents contributions on a range of aspects of Computational Chemistry applied to a variety of research fields. The chapters focus on recent theoretical developments which have been used to investigate structures and properties of large systems with minimal computational resources. Studies include those in the gas phase, various solvents, various aspects of computational multiscale modeling, Monte Carlo simulations, chirality, the multiple minima problem for protein folding, the nature of binding in different species and dihydrogen bonds, carbon nanotubes and hydrogen storage, adsorption and decomposition of organophosphorus compounds, X-ray crystallography, proton transfer, structure-activity relationships, a description of the REACH programs of the European Union for chemical regulatory purposes, reactions of nucleic acid bases with endogenous and exogenous reactive oxygen species and different aspects of nucleic acid bases, base pairs and base tetrads.
650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Chemistry, Physical and theoretical
650 07 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Computational chemistry.
700 1# - ADDED ENTRY--PERSONAL NAME
Personal name Leszczynski, Jerzy,
700 1# - ADDED ENTRY--PERSONAL NAME
Personal name Shukla, Manoj.
856 41 - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier <a href="http://www.loc.gov/catdir/enhancements/fy1108/2009926517-t.html">http://www.loc.gov/catdir/enhancements/fy1108/2009926517-t.html</a>
856 42 - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier <a href="http://www.loc.gov/catdir/enhancements/fy1108/2009926517-d.html">http://www.loc.gov/catdir/enhancements/fy1108/2009926517-d.html</a>
942 ## - ADDED ENTRY ELEMENTS (KOHA)
Source of classification or shelving scheme Dewey Decimal Classification
Koha item type General Books
504 ## - BIBLIOGRAPHY, ETC. NOTE
Bibliography, etc Includes bibliographical references and index.
650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM
General subdivision Data processing.
650 07 - SUBJECT ADDED ENTRY--TOPICAL TERM
Source of heading or term swd
9 (RLIN) 4
700 1# - ADDED ENTRY--PERSONAL NAME
Dates associated with a name 1949-
856 41 - ELECTRONIC LOCATION AND ACCESS
Materials specified Table of contents only
856 42 - ELECTRONIC LOCATION AND ACCESS
Materials specified Publisher description
906 ## - LOCAL DATA ELEMENT F, LDF (RLIN)
a 7
b cbc
c copycat
d 2
e ncip
f 20
g y-gencatlg
Holdings
Withdrawn status Lost status Source of classification or shelving scheme Damaged status Not for loan Collection code Home library Location Shelving location Date of Cataloging Total Checkouts Full call number Barcode Date last seen Price effective from Koha item type
    Dewey Decimal Classification     Non-fiction CUTN Central Library CUTN Central Library Sciences 16/05/2025   541.28 LES 51490 16/05/2025 16/05/2025 General Books