Intermolecular potential energy surface of the proton-bound H2O+–He dimer: Ab initio calculations and IR spectra of the O–H stretch vibrations

2001 ◽  
Vol 3 (12) ◽  
pp. 2400-2410 ◽  
Author(s):  
Doris Roth ◽  
Otto Dopfer ◽  
John P. Maier
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ir Spectra ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Energy Surface ◽  
Intermolecular Potential

Long-Range Complex in the HC$$_{3}$$N + CN Potential Energy Surface: Ab Initio Calculations and Intermolecular Potential

2021 ◽  
pp. 413-425
Author(s):  
Emília Valença Ferreira de Aragão ◽  
Luca Mancini ◽  
Noelia Faginas-Lago ◽  
Marzio Rosi ◽  
Nadia Balucani ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Long Range ◽  
Energy Surface ◽  
Intermolecular Potential

An analytical six‐dimensional potential energy surface for (HF)2 from ab initio calculations

1988 ◽  
Vol 89 (5) ◽  
pp. 3002-3007 ◽  
Author(s):  
P. R. Bunker ◽  
Manfred Kofranek ◽  
Hans Lischka ◽  
Alfred Karpfen
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Energy Surface
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