Ab Initio Study of Aziridines and Diaziridines:  Nitrogen Inversion, Ring Opening, and Thermochemistry

1998 ◽  
Vol 102 (18) ◽  
pp. 3193-3201 ◽  
Author(s):  
Ida M. B. Nielsen
Keyword(s):  
Ab Initio ◽  
Ring Opening ◽  
Ab Initio Study ◽  
Nitrogen Inversion

Ab initio Study of Ultrafast Photochemical Ring-Opening Reaction of 1,3-Cyclohexadiene

2007 ◽  
Author(s):  
Takao Kobayashi ◽  
Motoyuki Shiga ◽  
Akinori Murakami ◽  
Shinichiro Nakamura ◽  
Theodore E. Simos ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ring Opening ◽  
Ab Initio Study ◽  
Ring Opening Reaction

Mechanism of the Chemoselective and Stereoselective Ring Opening of Oxathiaphospholanes:  An Ab Initio Study

1997 ◽  
Vol 62 (17) ◽  
pp. 5793-5800 ◽  
Author(s):  
Tadafumi Uchimaru ◽  
Wojciech J. Stec ◽  
Kazunari Taira
Keyword(s):  
Ab Initio ◽  
Ring Opening ◽  
Ab Initio Study

Ab Initio Study of the Ring-Opening Reactions of Pyran, Nitrochromene, and Spiropyran

1995 ◽  
Vol 99 (24) ◽  
pp. 9730-9738 ◽  
Author(s):  
Paul N. Day ◽  
Zhiqiang Wang ◽  
Ruth Pachter
Keyword(s):  
Ab Initio ◽  
Ring Opening ◽  
Ab Initio Study ◽  
Ring Opening Reactions

An ab initio study of Se-reacted GaAs(0 0 1) surfaces

1998 ◽  
Vol 184-185 (1-2) ◽  
pp. 80-84 ◽  
Author(s):  
W Faschinger
Keyword(s):  
Ab Initio ◽  
Ab Initio Study
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