Faraday Symposia of the Chemical Society
Faraday Symposia of the Chemical Society was published from 1972 - 1984. In 1985 it continued as Faraday Discussions.
Contents list for Faraday Symposia of the Chemical Society, volume 19, 1984
Front cover
Faraday Symp. Chem. Soc., 1984, 19, X001
DOI: 10.1039/FS98419FX001
Contents pages
Faraday Symp. Chem. Soc., 1984, 19, 1
DOI: 10.1039/FS9841900001
General introduction. Computational quantum chemistry – 1984
Ernest R. Davidson,
Faraday Symp. Chem. Soc., 1984, 19, 7
DOI: 10.1039/FS9841900007
The Lennard-Jones lecture: the value of very-high-accuracy calculations in quantum chemistry
N. C. Handy,
Faraday Symp. Chem. Soc., 1984, 19, 17
DOI: 10.1039/FS9841900017
Silacyclobutadiene: singlet and triplet geometries, vibrational frequencies and electronic structures
Michael E. Colvin and Henry F. Schaefer III ,
Faraday Symp. Chem. Soc., 1984, 19, 39
DOI: 10.1039/FS9841900039
Potential-energy surfaces for chemical reactions. Dimerization of CH2 and SiH2, the SN2 reaction in gas-phase clusters and CH activation in transition-metal complexes
Keiji Morokuma, Katsuhisa Ohta, Nobuaki Koga, Shigeru Obara and Ernest R. Davidson,
Faraday Symp. Chem. Soc., 1984, 19, 49
DOI: 10.1039/FS9841900049
Calculation of molecular spectra. Electronic transitions, vibrational patterns and radiative lifetimes of spin-allowed and spin-forbidden transitions
Sigrid D. Peyerimhoff,
Faraday Symp. Chem. Soc., 1984, 19, 63
DOI: 10.1039/FS9841900063
Ab initio Hartree–Fock calculations for periodic systems
V. R. Saunders,
Faraday Symp. Chem. Soc., 1984, 19, 79
DOI: 10.1039/FS9841900079
Generalizations of the multiconfigurational time-dependent Hartree–Fock approach
Danny L. Yeager, Jeppe Olsen and Poul Jørgensen,
Faraday Symp. Chem. Soc., 1984, 19, 85
DOI: 10.1039/FS9841900085
Current status of the multiconfiguration–configuration interaction (MC–CI) method as applied to molecules containing transition-metal atoms
Per E. M. Siegbahn,
Faraday Symp. Chem. Soc., 1984, 19, 97
DOI: 10.1039/FS9841900097
Structure, stability and energetics of the neutral and singly and doubly ionized first- and second-row hydrides
Susan A. Pope, Ian H. Hillier and Martyn F. Guest,
Faraday Symp. Chem. Soc., 1984, 19, 109
DOI: 10.1039/FS9841900109
Ab initio calculations on weakly bonded systems
Joop H. van Lenthe, Teus van Dam, Frans B. van Duijneveldt and Loes M. J. Kroon-Batenburg,
Faraday Symp. Chem. Soc., 1984, 19, 125
DOI: 10.1039/FS9841900125
MCSCF gradient calculation of transition structures in organic reactions
Fernando Bernardi, Andrea Bottoni, Joseph J. W. McDouall, Michael A. Robb and H. Bernhard Schlegel,
Faraday Symp. Chem. Soc., 1984, 19, 137
DOI: 10.1039/FS9841900137
Studies of molecular states using spin-coupled valence-bond theory
David L. Cooper, Joseph Gerratt and Mario Raimondi,
Faraday Symp. Chem. Soc., 1984, 19, 149
DOI: 10.1039/FS9841900149
Numerical perturbation calculations for diatomic molecules
Edward A. McCullough Jr , John Morrison and Kent W. Richman,
Faraday Symp. Chem. Soc., 1984, 19, 165
DOI: 10.1039/FS9841900165
General discussion
Prof. I. M. Mills, Dr R. E. Overill, Dr. G. Hunter and Prof. E. R. Davidson, Dr D. L. Cooper and Prof. A. D. Buckingham, Dr P. R. Surján and Prof. J. S. Wright and Prof. H. F. Schaefer and Prof. S. D. Peyerimhoff and Prof. P. Siegbahn and Prof. J. Morrison, Dr J. Tennyson, Dr D. W. Davies, Dr B. T. Pickup and Prof. D. L. Yeager, Dr P. Jørgensen, Dr J. Olsen, Dr J. Gerratt, Mr R. J. Williams and Prof. I. H. Hillier, Dr M. F. Guest, Dr S . A. Pope, Dr P. J. Bruna, Dr M. Raimondi, Dr G. Figari, Dr J. H. van Lenthe, Dr F. B. van Duijneveldt and Pr,
Faraday Symp. Chem. Soc., 1984, 19, 175
DOI: 10.1039/FS9841900175
Additional remarks
Dr H-J. Werner,
Faraday Symp. Chem. Soc., 1984, 19, 202
DOI: 10.1039/FS9841900202
List of posters
Faraday Symp. Chem. Soc., 1984, 19, 205
DOI: 10.1039/FS9841900205
Author index
Faraday Symp. Chem. Soc., 1984, 19, 207
DOI: 10.1039/FS9841900207
