COSMO-RS : (Record no. 44873)

MARC details
000 -LEADER
fixed length control field 02524nam a22002177a 4500
003 - CONTROL NUMBER IDENTIFIER
control field CUTN
005 - DATE AND TIME OF LATEST TRANSACTION
control field 20250716172302.0
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION
fixed length control field 250716b |||||||| |||| 00| 0 eng d
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number 9780444519948
041 ## - LANGUAGE CODE
Language English
082 ## - DEWEY DECIMAL CLASSIFICATION NUMBER
Edition number 23
Classification number 536.7
Item number KLA
100 ## - MAIN ENTRY--PERSONAL NAME
Personal name Klamt, Andreas
245 ## - TITLE STATEMENT
Title COSMO-RS :
Remainder of title From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design /
Statement of responsibility, etc Andreas Klamt
260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT)
Place of publication, distribution, etc Netherlands:
Name of publisher, distributor, etc Elsevier,
Date of publication, distribution, etc 2005.
300 ## - PHYSICAL DESCRIPTION
Extent xi, 234 p. ;
Other physical details 1 CD, col. ill. :
Dimensions 22cm.
505 ## - FORMATTED CONTENTS NOTE
Contents Chapter 1 - Introduction<br/>Chapter 2 - Dielectric continuum solvation models and COSMO<br/>Chapter 3 - Fundamental criticism of the dielectric continuum approach<br/>Chapter 4 - Molecular interactions at the north pole: A virtual experiment<br/>Chapter 5 - Statistical thermodynamics of interacting surfaces<br/>Chapter 6 - The basic COSMO-RS<br/>Chapter 7 - Refinements, parameterization, and the complete COSMO-RS<br/>Chapter 8 - COSMO-RS for chemical engineering thermodynamics<br/>Chapter 9 - The σ-moment approach<br/>Chapter 10 - The wider range of COSMO-RS applicability<br/>Chapter 11 - Life science applications of COSMO-RS<br/>Chapter 12 - Summary, limitations, and perspectives<br/>
520 ## - SUMMARY, ETC.
Summary, etc The COSMO-RS technique is a novel method for predicting the thermodynamic properties of pure and mixed fluids which are important in many areas, ranging from chemical engineering to drug design.<br/><br/>COSMO-RS, From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design is about this novel technology, which has recently proven to be the most reliable and efficient tool for the prediction of vapour-liquid equilibria.In contrast to group contribution methods, which depend on an extremely large number of experimental data, COSMO-RS calculates the thermodynamic data from molecular surface polarity distributions, resulting from quantum chemical calculations ofthe individual compounds in the mixture. In this book, the author cleverly combines a vivid overview of the partly demanding theoretical steps with a deeper analysis of their scientific backgroundand justification.<br/><br/>Aimed at theoretical chemists, computational chemists, physical chemists, chemical engineers, thermodynamicists as well as students,academic and industrial experts, COSMO-RS, From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design provides a novel viewpoint to anyone looking to gain more insight into the theory and potential of the unique method, COSMO-RS.
650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Chemistry
650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Quantum Chemistry
942 ## - ADDED ENTRY ELEMENTS (KOHA)
Source of classification or shelving scheme Dewey Decimal Classification
Koha item type Text Book Reference
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 16/07/2025   536.7 KLA 51453 16/07/2025 16/07/2025 Text Book Reference