Molecular Physical Chemistry: (Record no. 2867)

MARC details
000 -LEADER
fixed length control field 02454nam a22002057a 4500
005 - DATE AND TIME OF LATEST TRANSACTION
control field 20250912112239.0
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION
fixed length control field 181220b ||||| |||| 00| 0 eng d
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
ISBN 9783319410920
041 ## - LANGUAGE CODE
Language code of text/sound track or separate title eng
082 ## - DEWEY DECIMAL CLASSIFICATION NUMBER
Classification number 541
Item number TeiM
100 ## - MAIN ENTRY--AUTHOR NAME
Personal name Teixeira-dias, Jose J.C.
245 ## - TITLE STATEMENT
Title Molecular Physical Chemistry:
Remainder of title A Computer Based Approach Using Mathematica and Gaussian /
Statement of responsibility, etc Jose J.C. Teixeira-dias
260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT)
Place of publication Switzerland
Name of publisher Springer;
Year of publication ©2017
300 ## - PHYSICAL DESCRIPTION
Number of Pages 457p.
520 ## - SUMMARY, ETC.
Summary, etc This is the physical chemistry textbook for students with an affinity for computers! It offers basic and advanced knowledge for students in the second year of chemistry masters studies and beyond. In seven chapters, the book presents thermodynamics, chemical kinetics, quantum mechanics and molecular structure (including an introduction to quantum chemical calculations), molecular symmetry and crystals. The application of physical-chemical knowledge and problem solving is demonstrated in a chapter on water, treating both the water molecule as well as water in condensed phases.<br/>Instead of a traditional textbook top-down approach, this book presents the subjects on the basis of examples, exploring and running computer programs (Mathematica®), discussing the results of molecular orbital calculations (performed using Gaussian) on small molecules and turning to suitable reference works to obtain thermodynamic data. Selected Mathematica® codes are explained at the end of each chapter and cross-referenced with the text, enabling students to plot functions, solve equations, fit data, normalize probability functions, manipulate matrices and test physical models. In addition, the book presents clear and step-by-step explanations and provides detailed and complete answers to all exercises. In this way, it creates an active learning environment that can prepare students for pursuing their own research projects further down the road.<br/>Students who are not yet familiar with Mathematica® or Gaussian will find a valuable introduction to computer-based problem solving in the molecular sciences. Other computer applications can alternatively be used. For every chapter learning goals are clearly listed in the beginning, so that readers can easily spot the highlights, and a glossary in the end of the chapter offers a quick look-up of important terms.
650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical Term Molecular Physics
650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical Term Physical Chemistry
650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical Term Thermodynamics
942 ## - ADDED ENTRY ELEMENTS (KOHA)
Koha item type Books
Holdings
Withdrawn status Lost status Damaged status Collection code Home library Current library Shelving location Date acquired Source of acquisition Purchase Price Bill number Full call number Accession Number Print Price Bill Date/Price effective from Koha item type
      Chemistry Indian Institute of Technology Tirupati Indian Institute of Technology Tirupati General Stacks 20/12/2018   6017.72 IN21095/17-18 541 TEI 05024 7079.67 10/02/2018 Books