Use of a non-pair-additive intermolecular potential function to fit quantum-mechanical data on water molecule interactions

1977 ◽  
Vol 67 (5) ◽  
pp. 2338 ◽  
Author(s):  
Edwin S. Campbell ◽  
Mihaly Mezei
Keyword(s):  
Water Molecule ◽  
Potential Function ◽  
Intermolecular Potential ◽  
Quantum Mechanical ◽  
Molecule Interactions

An intermolecular potential function for the Fe(II)-H2O system from ab initio calculations

1986 ◽  
Vol 30 (5) ◽  
pp. 663-670 ◽  
Author(s):  
A. Gonzàlez-Lafont ◽  
J. M. Lluch ◽  
A. Oliva ◽  
J. Bertrán
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Potential Function ◽  
Intermolecular Potential
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