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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.
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
2 The Quantum Treatment of Molecules
2.1 The Schrödinger Equation
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 Nomenclature
2.7 Spectroscopic Units
2.1 HATOM: Hydrogen Atom Energy Levels
2.2 BOLTZ: Relative Boltzmann Populations
2.3 ECONV: Energy Unit Conversions
3 Rotational Spectra
3.1 Diatomic Molecules
3.2 Linear Polyatomic Molecules
3.3 Polyatomic Molecules
3.6 Further Reading
3.1 ROTLEV: Diatomic Rotational Energy Levels
3.2 ROTSPC: Diatomic Rotational Spectrum
3.3 BONDL: Triatomic Bond Lengths
3.4 PROLE: Prolate Top Energy Levels
4 Vibrational Spectra
4.1 Diatomic Molecules
4.3 Vibration and Rotation
4.4 Polyatomic Vibrations
4.6 Further Reading
4.1 PSIVIB: Diatomic Vibrational Wavefunctions
4.2 OVDAT: Vibrational Constants from Overtone Data
4.3 VIBLEV: Diatomic Vibrational Levels
4.4 BIRGE: Birge-Sponer Extrapolation
4.5 NMODES: Linear Triatomic Normal Modes
5 Raman and Electronic Spectra
5.1 The Raman Effect
5.2 Pure Rotational Raman Spectra—Heteronuclear Diatomic Molecules
5.3 Rotational Level Populations, Symmetry and Nuclear Spin
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
5.8 Rotational Fine Structure
5.9 Electronic Spectra of Polyatomic Molecules
5.11 Further Reading
5.1 ROTRAM: Diatomic Rotational Raman Spectrum
5.2 NUSTAT: Linear Molecule Nuclear Statistics
5.3 DESTAB: Diatomic Deslandres Table
5.4 ROTFIN: Rotational Fine Structure
5.5 FEMLIN: Free Electron Model for Linear Polyenes
A.1 Fundamental Constants
A.2 Energy Units
- No. of pages:
- © Butterworth-Heinemann 1985
- 28th November 1985
- eBook ISBN:
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