The World of Quantum Chemistry: Proceedings of the First International Congress of Quantum Chemistry held at Menton, France, July 4–10, 1973R. Daudel, A. Pullman Proceedings of the First International Congress of Quantum Chemistry, held at Menton, France, July 4-10, 1973 |
Contents
ERNEST R DAVIDSON Configuration Interaction Description | 16 |
WŁODZIMIERZ KOLOS Some Problems of the Theory of Intermolecular | 31 |
PART IIELECTRONIC STRUCTURE AND CONFORMATION | 43 |
General Theory | 93 |
MARTIN KARPLUS Quantum Mechanics of Simple Chemical Reactions | 101 |
PART IVFORMATION AND EVOLUTION OF MOLECULAR | 142 |
PART VEFFECTS OF ENVIRONMENT ON THE BEHAVIOUR | 236 |
BUCKINGHAM Intermolecular Forces and the Electric and Magnetic | 252 |
OKTAY SINANOĞLU Three Types of Potential Needed in Predicting | 265 |
KEIJI MOROKUMA SUEHIRO INATA and W A LATHAN Molecular | 277 |
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Common terms and phrases
acetylcholine Acta approximation atomic orbitals atoms barrier basis set bond energy calculations charge-transfer Chem chemical Chim coefficients complex computations configuration conformational energy map consider continuum contribution correlation energy corresponding coupling Daudel decay amplitudes density dimer dipole eigenstates electron electrostatic Equation evolution excited experimental Figure Fujimoto Fukui geometry ground H₂ H₂CO H₂O Hartree-Fock HOMO HOMO-LUMO hydrogen bond hydrogen bond energy initial interaction energy intramolecular Jortner kcal/mole large molecule levels LUMO matrix elements method minima MO's molecular orbitals molecule Morokuma natural orbitals Nitzan nonradiative obtained overlap pair PCILO perturbation photon Phys polarizability polarization Pople problem Pullman Quantum Chemistry quantum yield radiative decay reaction coordinate relaxation residues rotational shift singlet Slater Slater determinants solvent SPINDO stabilization structure studies subspace symmetry theoretical theory tion transition values wave function widths