Faraday Symposia of the Chemical Society
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Published By The Royal Society Of Chemistry

0301-5696
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Generalizations of the multiconfigurational time-dependent Hartree–Fock approach

1984 ◽  
Vol 19 (0) ◽  
pp. 85-95 ◽  
Author(s):  
Danny L. Yeager ◽  
Jeppe Olsen ◽  
Poul Jørgensen
Keyword(s):  
Time Dependent ◽  
Hartree Fock

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

1984 ◽  
Vol 19 ◽  
pp. 109 ◽  
Author(s):  
Susan A. Pope ◽  
Ian H. Hillier ◽  
Martyn F. Guest
Keyword(s):  
Structure Stability

MCSCF gradient calculation of transition structures in organic reactions

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

Numerical perturbation calculations for diatomic molecules

1984 ◽  
Vol 19 ◽  
pp. 165 ◽  
Author(s):  
Edward A. McCullough ◽  
John Morrison ◽  
Kent W. Richman
Keyword(s):  
Diatomic Molecules

Front cover

1984 ◽  
Vol 19 ◽  
pp. X001
Keyword(s):  
Front Cover
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