Additions and Corrections - Deriving Intermolecular Potential Functions for the Water Dimer from Ab Initio Calculations

1980 ◽  
Vol 102 (25) ◽  
pp. 7619-7619 ◽  
Author(s):  
William Jorgensen
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Potential Functions ◽  
Water Dimer ◽  
Intermolecular Potential

The Ar–HF intermolecular potential: Overtone spectroscopy and ab initio calculations

1993 ◽  
Vol 99 (12) ◽  
pp. 9337-9349 ◽  
Author(s):  
Huan‐C. Chang ◽  
Fu‐Ming Tao ◽  
William Klemperer ◽  
Catherine Healey ◽  
Jeremy M. Hutson
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Intermolecular Potential ◽  
Overtone Spectroscopy

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

Spectra of water dimer from ab initio calculations

2006 ◽  
pp. 482-491 ◽  
Author(s):  
Krzysztof Szalewicz ◽  
Garold Murdachaew ◽  
Robert Bukowski ◽  
Omololu Akin-Ojo
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Water Dimer

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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