Ab initio computation of force constants. IV. The theoretical anharmonic force fields and vibrational frequencies of methylamine, methanol, and methanethiol

1999 ◽  
Vol 67 (9) ◽  
pp. 4181 ◽  
Author(s):  
H. Bernhard Schlegel
Keyword(s):  
Ab Initio ◽  
Force Fields ◽  
Vibrational Frequencies ◽  
Force Constants ◽  
Ab Initio Computation ◽  
Anharmonic Force

Ab initio computation of force constants. The second and third period hydrides

1975 ◽  
Vol 63 (8) ◽  
pp. 3632-3638 ◽  
Author(s):  
H. Bernhard Schlegel ◽  
Saul Wolfe ◽  
Fernando Bernardi
Keyword(s):  
Ab Initio ◽  
Force Constants ◽  
Ab Initio Computation
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