Ab initio study of transition state spectroscopy: ClHCl− photodetachment spectrum

1990 ◽  
Vol 93 (5) ◽  
pp. 3716-3717 ◽  
Author(s):  
Koichi Yamashita ◽  
Keiji Morokuma
Keyword(s):  
Transition State ◽  
Ab Initio ◽  
Ab Initio Study ◽  
Photodetachment Spectrum

Ab initio study toward designing transition-state analogues which elicit proteolytic catalytic antibodies

2000 ◽  
Vol 13 (3) ◽  
pp. 167-175 ◽  
Author(s):  
Kazuko Shimazaki ◽  
Hiroyuki Kakinuma ◽  
Kyoko Takahashi ◽  
Shigeo Niihata ◽  
Naoko Takahashi ◽  
...  
Keyword(s):  
Transition State ◽  
Ab Initio ◽  
Catalytic Antibodies ◽  
Ab Initio Study ◽  
Transition State Analogues

An ab Initio Study of the Transition State and Forward and Reverse Rate Constants for C2H5⇌ H + C2H4

1996 ◽  
Vol 100 (13) ◽  
pp. 5354-5361 ◽  
Author(s):  
William L. Hase ◽  
H. Bernhard Schlegel ◽  
Vsevolod Balbyshev ◽  
Michael Page
Keyword(s):  
Transition State ◽  
Ab Initio ◽  
Rate Constants ◽  
Ab Initio Study

Comparison of phosphonate transition state analogs for inducing catalytic antibodies and evaluation of key structural factors by an ab initio study

Tetrahedron ◽  
1999 ◽  
Vol 55 (9) ◽  
pp. 2559-2572 ◽  
Author(s):  
Hiroyuki Kakinuma ◽  
Kazuko Shimazaki ◽  
Naoko Takahashi ◽  
Kyoko Takahashi ◽  
Shigeo Niihata ◽  
...  
Keyword(s):  
Transition State ◽  
Ab Initio ◽  
Catalytic Antibodies ◽  
Structural Factors ◽  
Ab Initio Study ◽  
Transition State Analogs
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