MRCI potential energy functions for the charge transfer reactions H+ + HCl(X1Σ+)→ H + HCl+ (X2Πi, A 2Σ+)

1991 ◽  
Vol 152 (3) ◽  
pp. 409-427 ◽  
Author(s):  
Th. Glenewinkel-Meyer ◽  
Ch. Ottinger ◽  
P. Rosmus ◽  
H.-J. Werner
1996 ◽  
Vol 51 (3) ◽  
pp. 151-154 ◽  
Author(s):  
Hager Gritli ◽  
Gilberte Chambaud ◽  
Pavel Rosmus

Potential energy functions have been calculated for the reactions S- (2P) + H2 → HS + H- and S-(2P) + H2 → HS- + H for low collision energies and collinear geometries. Unlike in the O- + H2 system, only very flat polarisation minima in the structures S- . . . H2 and SH...H- have been found. They are not deep enough to support the formation of a complex in the detachment, in the reactive detachment and in the reactive charge transfer processes of the S- + H2 collision system.


1990 ◽  
Vol 92 (4) ◽  
pp. 2505-2516 ◽  
Author(s):  
Koichi Yamashita ◽  
Keiji Morokuma ◽  
Yasushi Shiraishi ◽  
Isao Kusunoki

2019 ◽  
Vol 6 (6) ◽  
pp. 1668-1672 ◽  
Author(s):  
Zhidong Huang ◽  
Lei Shang ◽  
Huiying Qi ◽  
Zhe Zhao ◽  
Baofeng Tu ◽  
...  

Hyomen Kagaku ◽  
2006 ◽  
Vol 27 (10) ◽  
pp. 609-612 ◽  
Author(s):  
Takeshi ABE ◽  
Zempachi OGUMI

2012 ◽  
Vol 18 (33) ◽  
pp. 10427-10435 ◽  
Author(s):  
Evangelos Krokos ◽  
Fabian Spänig ◽  
Michaela Ruppert ◽  
Andreas Hirsch ◽  
Dirk M. Guldi

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