Conformational equilibrium and potential-energy surface of 1-chlorobutane by microwave spectroscopy and ab initio calculations

1997 ◽  
Vol 93 (12) ◽  
pp. 2131-2137 ◽  
Author(s):  
Sonia Melandri ◽  
Paolo G. Favero ◽  
Walther Caminati ◽  
. Laura B. Favero ◽  
a Degli Esposti
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Energy Surface ◽  
Conformational Equilibrium ◽  
Microwave Spectroscopy

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

A global potential energy surface of Ar2H+ based on ab initio calculations

2002 ◽  
Vol 117 (6) ◽  
pp. 2592-2598 ◽  
Author(s):  
Jun Yan Qu ◽  
Wei Li ◽  
Rui Guo ◽  
Xin Sheng Zhao
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Energy Surface
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