Molecular mechanics calculation of intermolecular potential energy surfaces: the hydration of formaldehyde

1988 ◽  
Vol 92 (13) ◽  
pp. 3693-3695 ◽  
Author(s):  
Wolfgang C. F. Muehlbauer ◽  
James R. Damewood
Keyword(s):  
Potential Energy ◽  
Molecular Mechanics ◽  
Potential Energy Surfaces ◽  
Intermolecular Potential ◽  
Molecular Mechanics Calculation ◽  
Energy Surfaces

Intermolecular potential energy surfaces and spectra of Ne–HCN complex from ab initio calculations

2001 ◽  
Vol 114 (2) ◽  
pp. 764 ◽  
Author(s):  
Garold Murdachaew ◽  
Alston J. Misquitta ◽  
Robert Bukowski ◽  
Krzysztof Szalewicz
Keyword(s):  
Potential Energy ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Intermolecular Potential ◽  
Energy Surfaces

Multiconfiguration molecular mechanics algorithm for potential energy surfaces of chemical reactions

2000 ◽  
Vol 112 (6) ◽  
pp. 2718-2735 ◽  
Author(s):  
Yongho Kim ◽  
José C. Corchado ◽  
Jordi Villà ◽  
Jianhua Xing ◽  
Donald G. Truhlar
Keyword(s):  
Potential Energy ◽  
Molecular Mechanics ◽  
Chemical Reactions ◽  
Potential Energy Surfaces ◽  
Energy Surfaces
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