Understanding Chemical Reactivity : (Record no. 44654)

MARC details
000 -LEADER
fixed length control field 01917nam a22002537a 4500
003 - CONTROL NUMBER IDENTIFIER
control field CUTN
005 - DATE AND TIME OF LATEST TRANSACTION
control field 20250609124910.0
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION
fixed length control field 250609b |||||||| |||| 00| 0 eng d
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number 9789402422009
041 ## - LANGUAGE CODE
Language English
082 ## - DEWEY DECIMAL CLASSIFICATION NUMBER
Edition number 23
Classification number 541.28
Item number GAB
100 ## - MAIN ENTRY--PERSONAL NAME
Personal name Náray Szabó Gábor
245 ## - TITLE STATEMENT
Title Understanding Chemical Reactivity :
Remainder of title Applied Quantum Chemistry /
Statement of responsibility, etc Gábor Náray-Szabó
260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT)
Place of publication, distribution, etc North America:
Name of publisher, distributor, etc Springer,
Date of publication, distribution, etc 1987.
300 ## - PHYSICAL DESCRIPTION
Extent 489P. :
Other physical details ILL, ;
Dimensions 24CM.
505 ## - FORMATTED CONTENTS NOTE
Contents Introduction to Quantum Chemistry<br/>Basic Concepts of Chemical Reactivity<br/>Molecular Orbitals and Reactivity<br/>Electron Correlation and Configuration Interaction<br/>Potential Energy Surfaces and Reaction Paths<br/>Transition States and Activation Energies<br/>Density Functional Theory (DFT) and Applications<br/>Frontier Molecular Orbital Theory<br/>Charge and Energy Transfer<br/>Computational Methods in Reactivity
520 ## - SUMMARY, ETC.
Summary, etc Understanding Chemical Reactivity: Applied Quantum Chemistry by Náray-Szabó, Surján, and Ángyán is an advanced academic text that explores how quantum chemical principles can be applied to understand and predict chemical reactivity. The book provides a detailed and structured approach to explaining molecular behavior in reactions using theoretical and computational chemistry.<br/>It covers foundational quantum chemistry concepts such as molecular orbital theory, electron correlation, and potential energy surfaces, then applies them to various types of chemical reactions. Special emphasis is placed on computational techniques like Density Functional Theory (DFT) and Configuration Interaction (CI), allowing researchers to model and simulate molecular reactivity in complex systems.
650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Quantum Chemistry
650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Chemical Reactivity
650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Molecular Orbitals
650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Electron Correlation
650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element Density Functional Theory (DFT)
942 ## - ADDED ENTRY ELEMENTS (KOHA)
Source of classification or shelving scheme Dewey Decimal Classification
Koha item type General Books
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 09/06/2025   541.28 GAB 51572 09/06/2025 09/06/2025 General Books