Theoretical Studies of the Gas-Phase Reactions of S-Methyl Methanesulfinothioate (Dimethyl Thiosulfinate) with OH and Cl Radicals: Reaction Mechanisms, Energetics, and Kinetics

2019 ◽  
Vol 123 (39) ◽  
pp. 8448-8459 ◽  
Author(s):  
Parandaman Arathala ◽  
Rabi A. Musah
Keyword(s):  
Gas Phase ◽  
Reaction Mechanisms ◽  
Theoretical Studies ◽  
Gas Phase Reactions

Experimental and Theoretical Studies of the Gas-Phase Reactions of "Bare" Iron(I) with Tetralin

1995 ◽  
Vol 14 (9) ◽  
pp. 4409-4414 ◽  
Author(s):  
Katrin Seemeyer ◽  
Roland H. Hertwig ◽  
Jan Hrusak ◽  
Wolfram Koch ◽  
Helmut Schwarz
Keyword(s):  
Gas Phase ◽  
Theoretical Studies ◽  
Gas Phase Reactions ◽  
Experimental And Theoretical Studies

GAS-PHASE REACTIONS OF V+ AND VO+ WITH METHANOL

2005 ◽  
Vol 19 (15n17) ◽  
pp. 2693-2698 ◽  
Author(s):  
YALI CAO ◽  
XIANG ZHAO ◽  
ZICHAO TANG ◽  
BIN XIN ◽  
SHAOXIANG XIONG
Keyword(s):  
Reaction Time ◽  
Dft Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Reaction Mechanisms ◽  
Ab Initio Calculation ◽  
Gas Phase Reactions ◽  
Geometrical Structures ◽  
Reaction Processes ◽  
Ft Icr

The reactions of V + and VO + with methanol have been investigated experimentally by FT-ICR mass spectrometer and theoretically by ab initio calculation. Both V + and VO + exhibit impressive reactivity with methanol. The products distribution of different reaction time indicate that in whole reaction processes methanol is adsorbed one by one, and no more than four methanol molecules can be solved in the first shell of central ion V +. The reaction mechanisms have been proposed, and the possible geometrical structures of products are also analyzed by DFT calculations.

Rate Coefficients for the Gas Phase Reactions of CF3CH2F (HFC-134a) with Chlorine and Fluorine Atoms:  Experimental and ab Initio Theoretical Studies

1997 ◽  
Vol 101 (45) ◽  
pp. 8503-8507 ◽  
Author(s):  
Florent Louis ◽  
Abdelmonaem Talhaoui ◽  
Jean-Pierre Sawerysyn ◽  
Marie-Thérèse Rayez ◽  
Jean-Claude Rayez
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Rate Coefficients ◽  
Theoretical Studies ◽  
Gas Phase Reactions ◽  
Hfc 134A

scholarly journals Experimental and Theoretical Studies of the Gas-Phase Reactions of O(1D) with H2O and D2O at Low Temperature

2021 ◽  
Author(s):  
Kevin M. Hickson ◽  
Somnath Bhowmick ◽  
Yury V. Suleimanov ◽  
João Brandão ◽  
Daniela V. Coelho
Keyword(s):  
Low Temperature ◽  
Gas Phase ◽  
Room Temperature ◽  
Theoretical Study ◽  
Theoretical Studies ◽  
Gas Phase Reactions ◽  
Experimental And Theoretical Studies

Here we report the results of an experimental and theoretical study of the gas-phase reactions between O(1D) and H2O and O(1D) and D2O at room temperature and below. On the...

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