Ab initio calculations of the equilibrium constants of the gas-phase reactions C2H2 + OH− [rlhar2] C2H- + H2O and Li + H2O [rlhar2] LiOH + H

1976 ◽  
Vol 41 (1) ◽  
pp. 165-167 ◽  
Author(s):  
Petr Čársky ◽  
Rudolf Zahradník ◽  
Ivan Kozák
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Equilibrium Constants ◽  
Gas Phase Reactions

High-Level ab Initio Calculations on the Gas-Phase Reactions between C+(2P) and Formic Acid

1999 ◽  
Vol 103 (23) ◽  
pp. 4543-4552
Author(s):  
Ana I. González ◽  
Alberto Luna ◽  
Manuel Yáñez
Keyword(s):  
Formic Acid ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Gas Phase Reactions ◽  
High Level

Gas-phase detection of the FCO2 radical by millimeter wave and high resolution infrared spectroscopy assisted by ab initio calculations

2003 ◽  
Vol 118 (3) ◽  
pp. 1214-1220 ◽  
Author(s):  
Zdeněk Zelinger ◽  
Pascal Dréan ◽  
Adam Walters ◽  
Juan Ramon Avilès Moreno ◽  
Marcel Bogey ◽  
...  
Keyword(s):  
Infrared Spectroscopy ◽  
High Resolution ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Millimeter Wave ◽  
Phase Detection
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