Dipole and quadrupole moments of liquid water calculated within the coupled cluster/molecular mechanics method

2002 ◽  
Vol 364 (3-4) ◽  
pp. 379-386 ◽  
Author(s):  
Jacob Kongsted ◽  
Anders Osted ◽  
Kurt V. Mikkelsen ◽  
Ove Christiansen
Keyword(s):  
Molecular Mechanics ◽  
Liquid Water ◽  
Coupled Cluster ◽  
Quadrupole Moments ◽  
Molecular Mechanics Method

Coupled Cluster/Molecular Mechanics Method:  Implementation and Application to Liquid Water

2003 ◽  
Vol 107 (14) ◽  
pp. 2578-2588 ◽  
Author(s):  
Jacob Kongsted ◽  
Anders Osted ◽  
Kurt V. Mikkelsen ◽  
Ove Christiansen
Keyword(s):  
Molecular Mechanics ◽  
Liquid Water ◽  
Coupled Cluster ◽  
Molecular Mechanics Method
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