Improved counterpoise corrections for the ab initio calculation of hydrogen bonding interactions

1986 ◽  
Vol 84 (5) ◽  
pp. 2720-2725 ◽  
Author(s):  
Sharilyn K. Loushin ◽  
Shi‐Yi Liu ◽  
Clifford E. Dykstra
Keyword(s):  
Hydrogen Bonding ◽  
Ab Initio ◽  
Ab Initio Calculation ◽  
Hydrogen Bonding Interactions ◽  
Counterpoise Corrections

Hydrogen Bonding of Methanol with Bridged OH Groups of Zeolites:  Ab Initio Calculation,1H NMR and FTIR Studies

1998 ◽  
Vol 102 (14) ◽  
pp. 2454-2463 ◽  
Author(s):  
J. Kotrla ◽  
D. Nachtigallová ◽  
L. Kubelková ◽  
L. Heeribout ◽  
C. Doremieux-Morin ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Ab Initio ◽  
1H Nmr ◽  
Ab Initio Calculation ◽  
Oh Groups ◽  
Ftir Studies
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