Basis set superposition error effects on electronic and νFX, νF⋅⋅⋅N stretching modes of hydrogen bonded systems FX⋅⋅⋅NCX (X=H,D)

1992 ◽  
Vol 96 (8) ◽  
pp. 6033-6038 ◽  
Author(s):  
Y. Bouteiller ◽  
H. Behrouz
Keyword(s):  
Basis Set ◽  
Basis Set Superposition Error ◽  
Hydrogen Bonded Systems ◽  
Hydrogen Bonded

scholarly journals Analysis of the basis set superposition error in molecular dynamics of hydrogen-bonded liquids: Application to methanol

2012 ◽  
Vol 137 (10) ◽  
pp. 104506 ◽  
Author(s):  
Marc Van Houteghem ◽  
Toon Verstraelen ◽  
An Ghysels ◽  
Louis Vanduyfhuys ◽  
Michel Waroquier ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Basis Set ◽  
Basis Set Superposition Error ◽  
Hydrogen Bonded

Subtle basis set effects on hydrogen bonded systems

1999 ◽  
Vol 96 (4) ◽  
pp. 493-504 ◽  
Author(s):  
Gregory S. Tschumper ◽  
Matthew D. Kelty ◽  
Henry F. Schaefer
Keyword(s):  
Basis Set ◽  
Hydrogen Bonded Systems ◽  
Hydrogen Bonded
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