Ab initio R1 mechanism of photostimulated oxygen isotope exchange reaction on a defect TiO2 surface: The case of terminal oxygen atom exchange

2017 ◽  
Vol 403 ◽  
pp. 342-346 ◽  
Author(s):  
Ruslan Kevorkyants ◽  
Mikhail. N. Sboev ◽  
Yuri V. Chizhov
2003 ◽  
Vol 119 (16) ◽  
pp. 8213-8216 ◽  
Author(s):  
Mark J. Perri ◽  
Annalise L. Van Wyngarden ◽  
Kristie A. Boering ◽  
Jim J. Lin ◽  
Yuan T. Lee

2011 ◽  
Vol 116 (1) ◽  
pp. 64-84 ◽  
Author(s):  
Laurence Y. Yeung ◽  
Mitchio Okumura ◽  
Jianming Zhang ◽  
Timothy K. Minton ◽  
Jeffrey T. Paci ◽  
...  

2018 ◽  
Vol 71 (4) ◽  
pp. 311
Author(s):  
Dahbia Talbi

A quantitative ab initio study of the carbon isotope-exchange reaction 13C12CS + H → 12C13CS + H was performed at the RCCSD(T)/aug-cc-pVQZ//M06–2X/aug-cc-pVTZ level of theory, revealing that this reaction is barrier-less. This result validates the chemical hypothesis of Furuya et al., who suggested this reaction to be responsible for the 12C13CS/13C12CS isotopomer ratio observed to be higher than unity in cold interstellar clouds.


2004 ◽  
Vol 89 (11-12) ◽  
pp. 1822-1825 ◽  
Author(s):  
Theodore C. Labotka ◽  
David R. Cole ◽  
Mostafa Fayek ◽  
Lee R. Riciputi ◽  
Frank J. Stadermann

1997 ◽  
Vol 250 (1) ◽  
pp. 29-35 ◽  
Author(s):  
Atsushi Baba ◽  
Masabumi Nishikawa ◽  
Takanori Eguchi

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