Faraday Symposia of the Chemical Society
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288

(FIVE YEARS 0)

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32

(FIVE YEARS 0)

Published By The Royal Society Of Chemistry

0301-5696

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Generalizations of the multiconfigurational time-dependent Hartree–Fock approach

Faraday Symposia of the Chemical Society ◽

10.1039/fs9841900085 ◽

1984 ◽

Vol 19 (0) ◽

pp. 85-95 ◽

Author(s):

Danny L. Yeager ◽

Jeppe Olsen ◽

Poul Jørgensen

Keyword(s):

Time Dependent ◽

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Current status of the multiconfiguration–configuration interaction (MC–CI) method as applied to molecules containing transition-metal atoms

Faraday Symposia of the Chemical Society ◽

10.1039/fs9841900097 ◽

1984 ◽

Vol 19 (0) ◽

pp. 97-107 ◽

Author(s):

Per E. M. Siegbahn

Keyword(s):

Transition Metal ◽

Configuration Interaction ◽

Current Status ◽

Metal Atoms ◽

Transition Metal Atoms

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Structure, stability and energetics of the neutral and singly and doubly ionized first- and second-row hydrides

Faraday Symposia of the Chemical Society ◽

10.1039/fs9841900109 ◽

1984 ◽

Vol 19 ◽

pp. 109 ◽

Author(s):

Susan A. Pope ◽

Ian H. Hillier ◽

Martyn F. Guest

Keyword(s):

Structure Stability

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Author index

Faraday Symposia of the Chemical Society ◽

10.1039/fs9841900207 ◽

1984 ◽

Vol 19 ◽

pp. 207

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Numerical perturbation calculations for diatomic molecules

Faraday Symposia of the Chemical Society ◽

10.1039/fs9841900165 ◽

1984 ◽

Vol 19 ◽

pp. 165 ◽

Author(s):

Edward A. McCullough ◽

John Morrison ◽

Kent W. Richman

Keyword(s):

Diatomic Molecules

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MCSCF gradient calculation of transition structures in organic reactions

Faraday Symposia of the Chemical Society ◽

10.1039/fs9841900137 ◽

1984 ◽

Vol 19 ◽

pp. 137 ◽

Author(s):

Fernando Bernardi ◽

Andrea Bottoni ◽

Joseph J. W. McDouall ◽

Michael A. Robb ◽

H. Bernhard Schlegel

Keyword(s):

Organic Reactions ◽

Transition Structures ◽

Gradient Calculation

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Potential-energy surfaces for chemical reactions. Dimerization of CH2 and SiH2, the S N2 reaction in gas-phase clusters and CH activation in transition-metal complexes

Faraday Symposia of the Chemical Society ◽

10.1039/fs9841900049 ◽

1984 ◽

Vol 19 ◽

pp. 49 ◽

Author(s):

Keiji Morokuma ◽

Katsuhisa Ohta ◽

Nobuaki Koga ◽

Shigeru Obara ◽

Ernest R. Davidson

Keyword(s):

Transition Metal ◽

Potential Energy ◽

Metal Complexes ◽

Gas Phase ◽

Transition Metal Complexes ◽

Chemical Reactions ◽

Potential Energy Surfaces ◽

Ch Activation ◽

Gas Phase Clusters ◽

Energy Surfaces

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General introduction. Computational quantum chemistry ? 1984

Faraday Symposia of the Chemical Society ◽

10.1039/fs9841900007 ◽

1984 ◽

Vol 19 ◽

pp. 7 ◽

Author(s):

Ernest R. Davidson

Keyword(s):

Quantum Chemistry ◽

General Introduction ◽

Computational Quantum Chemistry ◽

Computational Quantum

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Front cover

Faraday Symposia of the Chemical Society ◽

10.1039/fs98419fx001 ◽

1984 ◽

Vol 19 ◽

pp. X001

Keyword(s):

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Additional remarks

Faraday Symposia of the Chemical Society ◽

10.1039/fs9841900202 ◽

1984 ◽

Vol 19 ◽

pp. 202 ◽

Author(s):

H-J. Werner

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