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BASIC molecular spectroscopy

Author: P A Gorry
Publisher: London [England] ; Boston, Massachusetts : Butterworths, 1985. ©1985
Edition/Format:   eBook : Document : EnglishView all editions and formats
Summary:
BASIC Molecular Spectroscopy discusses the utilization of the Beginner's All-purpose Symbolic Instruction Code (BASIC) programming language in molecular spectroscopy. The book is comprised of five chapters that provide an introduction to molecular spectroscopy through programs written in BASIC. The coverage of the text includes rotational spectra, vibrational spectra, and Raman and electronic spectra. The book will  Read more...
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Genre/Form: Electronic books
Additional Physical Format: Print version:
BASIC molecular spectroscopy.
London, [England] ; Boston, Massachusetts : Butterworths, ©1985
144 pages
Material Type: Document, Internet resource
Document Type: Internet Resource, Computer File
All Authors / Contributors: P A Gorry
ISBN: 9781483103990 1483103994
OCLC Number: 896841587
Description: 1 online resource (160 pages) : illustrations
Contents: Front Cover; Dediction; Basic Molecular Spectroscopy; Copyright Page; Preface; Table of Contents; Chapter 1. Introduction to BASIC; 1.1 What is BASIC?; 1.2 Why BASIC?; 1.3 Programming in BASIC; 1.4 The elements of BASIC; 1.5 Different computers; 1.6 References; Chapter 2. The quantum treatment of molecules; ESSENTIAL THEORY; 2.1 The Schrödinger equation; PROGRAMS; 2.1 HATOM: Hydrogen atom energy levels; 2.2 The Born-Oppenheimer approximation; 2.3 Wavefunctions and normalization; 2.4 Orthogonality and symmetry; 2.5 The Boltzmann distribution. 2.6 Light absorption, selection rules and nomenclature2.2 BOLTZ: Relative Boltzmann populations; 2.7 Spectroscopic units; 2.3 ECONV : Energy unit conversions; 2.8 References; PROBLEMS; Chapter 3. Rotational spectra; ESSENTIAL THEORY; 3.1 Diatomic molecules; PROGRAMS; 3.1 ROTLEV: Diatomic rotational energy levels; 3.2 ROTSPC: Diatomic rotational spectrum; 3.2 Linear polyatomic molecules; 3.3 BONDL: Triatomic bond lengths; 3.3 Polyatomic molecules; 3.4 PROLE: Prolate top energy levels; 3.4 Conclusions; 3.5 References; 3.6 Further reading; PROBLEMS; Chapter 4. Vibrational spectra. ESSENTIAL THEORY4.1 Diatomic molecules; PROGRAMS; 4.1 PSIVIB: Diatomic vibrational wavefunctions; 4.2 Anharmonicity; 4.2 OVDAT: Vibrational constants from overtone data; 4.3 VIBLEV: Diatomic vibrational levels; 4.4 BIRGE: Birge-Sponer extrapolation; 4.3 Vibration and rotation; 4.4 Polyatomic vibrations; 4.5 NMODES: Linear triatomic normal modes; 4.5 References; 4.6 Further reading; PROBLEMS; Chapter 5. Raman and electronic spectra; ESSENTIAL THEORY; 5.1 The Raman effect; 5.2 Pure rotational Raman spectra-heteronuclear diatomic molecules; 5.1 ROTRAM: Diatomic rotational Raman spectrum. 5.3 Rotational level populations, symmetry and nuclear spin5.2 NUSTAT: Linear molecule nuclear statistics; 5.4 The vibrational Raman effect and the polarizability ellipsoid; 5.5 Electronic spectra of diatomic molecules; 5.6 Electronic, vibrational and rotational energy levels; 5.7 Vibrational structure and the Franck-Condon Principle; 5.3 DESTAB: Diatomic Deslandres table; 5.8 Rotational fine structure; 5.4 ROTFIN: Rotational fine structure; 5.9 Electronic spectra of polyatomic molecules; 5.5 FEMLIN: Free electron model for linear polyenes; 5.10 References; 5.11 Further reading; PROBLEMS. PROGRAMSAppendix :1-; A.l Fundamental constants; A.2 Energy units; Index.
Responsibility: P.A. Gorry.

Abstract:

BASIC Molecular Spectroscopy discusses the utilization of the Beginner's All-purpose Symbolic Instruction Code (BASIC) programming language in molecular spectroscopy. The book is comprised of five chapters that provide an introduction to molecular spectroscopy through programs written in BASIC. The coverage of the text includes rotational spectra, vibrational spectra, and Raman and electronic spectra. The book will be of great use to students who are currently taking a course in molecular spectroscopy.

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