Chemical dynamics study on the gas-phase reaction of the D1-silylidyne radical (SiD; X2Π) with deuterium sulfide (D2S) and hydrogen sulfide (H2S)

Author(s):  
Shane J. Goettl ◽  
Srinivas Doddipatla ◽  
Zhenghai Yang ◽  
Chao He ◽  
Ralf I. Kaiser ◽  
...  

Center-of-mass velocity flux contour map for the reaction of the D1-silylidyne radical (SiD) with deuterium sulfide (D2S) leading to the gas-phase formation of D2-silanethione (D2SiS).

ChemInform ◽  
2010 ◽  
Vol 33 (38) ◽  
pp. no-no
Author(s):  
E. N. Deryagina ◽  
E. N. Sukhomazova ◽  
E. P. Levanova

Author(s):  
Chao He ◽  
Kazuumi Fujioka ◽  
Anatoliy A Nikolayev ◽  
Long Zhao ◽  
Srinivas Doddipatla ◽  
...  

The gas-phase reaction of the methylidyne (CH; X2Π) radical with dimethylacetylene (CH3CCCH3; X1A1g) was studied at a collision energy of 20.6 kJ mol-1 under single collision conditions with experimental results...


2019 ◽  
Author(s):  
Javad Noroozi ◽  
William Smith

We use molecular dynamics free energy simulations in conjunction with quantum chemical calculations of gas phase reaction free energy to predict alkanolamines pka values. <br>


2021 ◽  
Vol 330 ◽  
pp. 125002
Author(s):  
Yan-Yu Chen ◽  
Yuki Soma ◽  
Masahito Ishikawa ◽  
Masatomo Takahashi ◽  
Yoshihiro Izumi ◽  
...  

ACS Omega ◽  
2021 ◽  
Vol 6 (3) ◽  
pp. 2410-2419
Author(s):  
Junyao Li ◽  
Narcisse T. Tsona ◽  
Shanshan Tang ◽  
Xiuhui Zhang ◽  
Lin Du

1989 ◽  
Vol 24 (10) ◽  
pp. 3679-3685 ◽  
Author(s):  
C. H. Pai ◽  
K. Koumoto ◽  
S. Takeda ◽  
H. Yanagida

2007 ◽  
Vol 44 (6) ◽  
pp. 447-452 ◽  
Author(s):  
Akira Watanabe ◽  
Motoharu Fujii ◽  
Masayoshi Kawahara ◽  
Takehisa Fukui ◽  
Kiyoshi Nogi

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