ACS Symposium Series - Chemical Applications of Density-Functional Theory
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0841234035, 0841215782
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Density-Functional Calculations of Radicals and Diradicals

1996 ◽  
pp. 402-422 ◽  
Author(s):  
Myong H. Lim ◽  
Sharon E. Worthington ◽  
Frederic J. Dulles ◽  
Christopher J. Cramer
Keyword(s):  
Density Functional Calculations ◽  
Density Functional

Polymers and Muffin-Tin Orbitals

1996 ◽  
pp. 114-130 ◽  
Author(s):  
Michael Springborg ◽  
Catia Arcangeli ◽  
Karla Schmidt ◽  
Heiko Meider

Analytic Second Derivatives of Molecular Energies

1996 ◽  
pp. 154-163 ◽  
Author(s):  
Heiko Jacobsen ◽  
Attila Bérces ◽  
David P. Swerhone ◽  
Tom Ziegler
Keyword(s):  
Second Derivatives ◽  
Derivatives Of
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