AB initio calculations of the potential surfaces and geometry of nonrigid molecules

1978 ◽  
Vol 18 (5) ◽  
pp. 623-631 ◽  
Author(s):  
A. I. Boldyrev ◽  
O. P. Charkin
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Potential Surfaces ◽  
Nonrigid Molecules

Ab initio calculations of vibrational spectra of nonrigid molecules

1990 ◽  
Vol 94 (14) ◽  
pp. 5493-5496 ◽  
Author(s):  
Petr. Carsky ◽  
Vladimir. Spirko ◽  
B. Andes. Hess ◽  
Lawrence J. Schaad
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Vibrational Spectra ◽  
Nonrigid Molecules

Calculations ab initio of the potential surfaces and geometry of nonrigid molecules III. The nonrigid complex molecule NaBH4

1978 ◽  
Vol 19 (2) ◽  
pp. 179-185 ◽  
Author(s):  
A. I. Boldyrev ◽  
O. P. Charkin ◽  
N. G. Rambidi ◽  
V. I. Avdeev
Keyword(s):  
Ab Initio ◽  
Complex Molecule ◽  
Potential Surfaces ◽  
Nonrigid Molecules

Ab initio calculations of H2-H2 potential surfaces near the van der Waals minimum

1987 ◽  
Vol 116 (1) ◽  
pp. 11-19 ◽  
Author(s):  
H. Lavendy ◽  
J.M. Robbe ◽  
G. Chambaud ◽  
B. Levy
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Van Der Waals ◽  
Potential Surfaces

Laser‐induced desorption of NO from NiO(100): Ab initio calculations of potential surfaces for intermediate excited states

1996 ◽  
Vol 104 (24) ◽  
pp. 10030-10040 ◽  
Author(s):  
T. Klüner ◽  
H.‐J. Freund ◽  
J. Freitag ◽  
V. Staemmler
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Excited States ◽  
Potential Surfaces
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