scholarly journals Copper arylnitrene intermediates: formation, structure and reactivity

2020 ◽  
Vol 56 (84) ◽  
pp. 12721-12724
Author(s):  
Noël R. M. de Kler ◽  
Jana Roithová

The mechanism of oxidation of arylamines by copper enzymes is not clarified yet. A possible pathway involves copper(ii)oxyl intermediates transforming arylamines to copper aryl nitrenes. We investigate details of this pathway in a gas phase reaction.

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

2016 ◽  
Vol 27 (5) ◽  
pp. 927-939 ◽  
Author(s):  
Chongming Liu ◽  
Upul Nishshanka ◽  
Athula B. Attygalle

1992 ◽  
Vol 70 (5) ◽  
pp. 1014-1020 ◽  
Author(s):  
W. Duo ◽  
K. Dam-Johansen ◽  
K. Østergaard

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