Elements of Quantum Chemistry /
Zahradnik, Rudolf
Elements of Quantum Chemistry / - Boston, MA: Springer, 1985. - xvii, 253 pages : illustrations ; 24 cm.
Front Matter
Pages 1-8
Introduction
Rudolf Zahradník, Rudolf Polák
Pages 9-10
A Brief Comment on the Development of the Theory of the Chemical Bond
Rudolf Zahradník, Rudolf Polák
Pages 11-12
The Time-Independent Schrödinger Equation
Rudolf Zahradník, Rudolf Polák
Pages 13-46
Mathematics and Logic of Quantum Mechanics
Rudolf Zahradník, Rudolf Polák
Pages 47-79
Basic Approximations in the Theory of the Chemical Bond
Rudolf Zahradník, Rudolf Polák
Pages 80-102
Symmetry in Quantum Chemistry
Rudolf Zahradník, Rudolf Polák
Pages 103-149
Atomic Orbitals (AO) and Molecular Orbitals (MO)
Rudolf Zahradník, Rudolf Polák
Pages 150-160
Many-Electron Atoms
Rudolf Zahradník, Rudolf Polák
Pages 161-169
Diatomic Molecules
Rudolf Zahradník, Rudolf Polák
Pages 170-189
Calculation Methods in the Theory of the Chemical Bond
Rudolf Zahradník, Rudolf Polák
Pages 190-262
Use of the Solution to the Schrödinger Equation
Rudolf Zahradník, Rudolf Polák
Pages 263-294
Examples of the Study of Polyatomic Molecules
Rudolf Zahradník, Rudolf Polák
Pages 295-311
Molecular Spectroscopy
Rudolf Zahradník, Rudolf Polák
Pages 312-376
Magnetic Properties of Molecules
Rudolf Zahradník, Rudolf Polák
Pages 377-382
Thermochemical Properties and Molecular Stability
Rudolf Zahradník, Rudolf Polák
Pages 383-390
Chemical Reactivity
Rudolf Zahradník, Rudolf Polák
Pages 391-437
Weak Interactions
Rudolf Zahradník, Rudolf Polák
Pages 438-449
Back Matter
Pages 451-462
The post-war generation of chemists learned to handle a blow pipe at the university as thoroughly as modern chemistry students learn to write computer programmes. Even after World War II the rule of three was considered to be sufficient mathematical knowledge for chemists and the short course of "higher mathematics" at technical universities was the test most feared by chemistry students. However, even then some en visaged the theoretical derivation of information on the properties of molecules from knowledge of the bonding of the component atoms. During the last quarter of this century, amazing changes have occurred in chemistry, some of them almost incredible. Dirac's famous clairvoyant statement* has been partially realized. Incorporation of quantum mechanics into chemistry encountered numerous difficulties. After all, the reserve of experimental chemists is not surprising. For decades the hydrogen and helium atoms and the hydrogen molecule belonged among the systems most frequently investigated by theoreti cians. Later these systems were supplemented by ethylene and benzene. The authors of this book can therefore recall with understanding the words of the late Professor Lukes: "Well, when they succeed in computing a molecule of some alkaloid by those methods of yours ... ". Unfortunately, the calculations on calycanin were not completed before his death. Now there is no need to convince even the members of the older generation of the usefulness of quantum chemistry for chemists. Even the most conservative were convinced after the introduction of the W ood ward-Hoffmann rules.
9781071631201
541.28 / ZAH
Elements of Quantum Chemistry / - Boston, MA: Springer, 1985. - xvii, 253 pages : illustrations ; 24 cm.
Front Matter
Pages 1-8
Introduction
Rudolf Zahradník, Rudolf Polák
Pages 9-10
A Brief Comment on the Development of the Theory of the Chemical Bond
Rudolf Zahradník, Rudolf Polák
Pages 11-12
The Time-Independent Schrödinger Equation
Rudolf Zahradník, Rudolf Polák
Pages 13-46
Mathematics and Logic of Quantum Mechanics
Rudolf Zahradník, Rudolf Polák
Pages 47-79
Basic Approximations in the Theory of the Chemical Bond
Rudolf Zahradník, Rudolf Polák
Pages 80-102
Symmetry in Quantum Chemistry
Rudolf Zahradník, Rudolf Polák
Pages 103-149
Atomic Orbitals (AO) and Molecular Orbitals (MO)
Rudolf Zahradník, Rudolf Polák
Pages 150-160
Many-Electron Atoms
Rudolf Zahradník, Rudolf Polák
Pages 161-169
Diatomic Molecules
Rudolf Zahradník, Rudolf Polák
Pages 170-189
Calculation Methods in the Theory of the Chemical Bond
Rudolf Zahradník, Rudolf Polák
Pages 190-262
Use of the Solution to the Schrödinger Equation
Rudolf Zahradník, Rudolf Polák
Pages 263-294
Examples of the Study of Polyatomic Molecules
Rudolf Zahradník, Rudolf Polák
Pages 295-311
Molecular Spectroscopy
Rudolf Zahradník, Rudolf Polák
Pages 312-376
Magnetic Properties of Molecules
Rudolf Zahradník, Rudolf Polák
Pages 377-382
Thermochemical Properties and Molecular Stability
Rudolf Zahradník, Rudolf Polák
Pages 383-390
Chemical Reactivity
Rudolf Zahradník, Rudolf Polák
Pages 391-437
Weak Interactions
Rudolf Zahradník, Rudolf Polák
Pages 438-449
Back Matter
Pages 451-462
The post-war generation of chemists learned to handle a blow pipe at the university as thoroughly as modern chemistry students learn to write computer programmes. Even after World War II the rule of three was considered to be sufficient mathematical knowledge for chemists and the short course of "higher mathematics" at technical universities was the test most feared by chemistry students. However, even then some en visaged the theoretical derivation of information on the properties of molecules from knowledge of the bonding of the component atoms. During the last quarter of this century, amazing changes have occurred in chemistry, some of them almost incredible. Dirac's famous clairvoyant statement* has been partially realized. Incorporation of quantum mechanics into chemistry encountered numerous difficulties. After all, the reserve of experimental chemists is not surprising. For decades the hydrogen and helium atoms and the hydrogen molecule belonged among the systems most frequently investigated by theoreti cians. Later these systems were supplemented by ethylene and benzene. The authors of this book can therefore recall with understanding the words of the late Professor Lukes: "Well, when they succeed in computing a molecule of some alkaloid by those methods of yours ... ". Unfortunately, the calculations on calycanin were not completed before his death. Now there is no need to convince even the members of the older generation of the usefulness of quantum chemistry for chemists. Even the most conservative were convinced after the introduction of the W ood ward-Hoffmann rules.
9781071631201
541.28 / ZAH