Molecular Physical Chemistry : A Computer-based Approach using Mathematica® and Gaussian

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...

Full description

Saved in:
Bibliographic Details
Main Author: Teixeira-Dias, José J. C. (Author)
Corporate Author: SpringerLink (Online service)
Format: eBook
Language: English
Published: Cham : Springer International Publishing : Imprint: Springer, 2017.
Subjects:
fyzikální chemie
počítačové programy
termodynamika
physical chemistry
computer programs
thermodynamics
elektronické knihy
učebnice vysokých škol
electronic books
textbooks (higher)
ISBN: 9783319410937
Physical Description: 1 online resource (XVI, 457 p. 270 illus., 17 illus. in color.)

Cover

Table of contents

LEADER 03552nam a22005055i 4500
001 100582
003 CZ-ZlUTB
005 20210512111201.0
006 m o d
007 cr nn 008mamaa
008 170117s2017 gw | esp |||| 0|eng d
999 |c 100582  |d 100582 
020 |a 9783319410937 
024 7 |a 10.1007/978-3-319-41093-7  |2 doi 
072 7 |a 544  |x Fyzikální chemie  |2 Konspekt  |9 10 
072 7 |a 37.016  |x Učební osnovy. Vyučovací předměty. Učebnice  |2 Konspekt  |9 22 
080 |a 544  |2 MRF 
080 |a 004.42  |2 MRF 
080 |a 536.7  |2 MRF 
080 |a (0.034.2:08)   |2 MRF 
080 |a (075.8)   |2 MRF 
100 1 |a Teixeira-Dias, José J. C.  |e author. 
245 1 0 |a Molecular Physical Chemistry :  |b A Computer-based Approach using Mathematica® and Gaussian /  |c by José J. C. Teixeira-Dias. 
264 1 |a Cham :  |b Springer International Publishing :  |b Imprint: Springer,  |c 2017. 
300 |a 1 online resource (XVI, 457 p. 270 illus., 17 illus. in color.) 
336 |a text  |b txt  |2 rdacontent 
337 |a počítač  |b c  |2 rdamedia 
338 |a online zdroj  |b cr  |2 rdacarrier 
506 |a Plný text je dostupný pouze z IP adres počítačů Univerzity Tomáše Bati ve Zlíně nebo vzdáleným přístupem pro zaměstnance a studenty 
520 |a 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. 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. Students who are not yet familiar with Mathematica® or Gaussian will find a valuable introduction to computer-based problem solving in the molecular sciences.- Resumé vydavatel 
650 0 7 |a fyzikální chemie  |2 czenas  |7 ph114602 
650 0 7 |a počítačové programy  |2 czenas  |7 ph124516 
650 0 7 |a termodynamika  |2 czenas  |7 ph116437 
650 0 9 |a physical chemistry  |2 eczenas 
650 0 9 |a computer programs  |2 eczenas 
650 0 9 |a thermodynamics  |2 eczenas 
655 7 |a elektronické knihy  |7 fd186907  |2 czenas 
655 7 |a učebnice vysokých škol  |7 fd133772  |2 czenas 
655 9 |a electronic books  |2 eczenas 
655 9 |a textbooks (higher)  |2 eczenas 
710 2 |a SpringerLink (Online service) 
776 0 8 |i Printed edition:  |z 9783319410920 
856 4 0 |u https://proxy.k.utb.cz/login?url=http://dx.doi.org/10.1007/978-3-319-41093-7  |y Plný text 
942 |2 udc 
992 |c NTK-SpringerCHEMS 

Similar Items