Tuning the reactivity of a dissociative force field: proton transfer properties of aqueous H3O+ and their dependence on the three-body interaction

2015 ◽  
Vol 17 (16) ◽  
pp. 10934-10943 ◽  
Author(s):  
Martin J. Wiedemair ◽  
Manuel Hitzenberger ◽  
Thomas S. Hofer

Selective adjustment of the three-body interaction of a dissociative water potential results in a significant improvement in the description of proton transport properties.

2019 ◽  
Vol 21 (20) ◽  
pp. 10744-10749 ◽  
Author(s):  
Takahisa Omata ◽  
Takuya Yamaguchi ◽  
Satoshi Tsukuda ◽  
Tomohiro Ishiyama ◽  
Junji Nishii ◽  
...  

Proton mobility at the glass transition temperature of 32 proton-conducting phosphate glasses converges between 2 × 10−9 and 2 × 10−7 cm2 V−1 s−1.


2020 ◽  
Vol MA2020-02 (40) ◽  
pp. 2642-2642
Author(s):  
Yuji Okuyama ◽  
Tomohiro Kuroha ◽  
Yamauchi Kosuke ◽  
Yuichi Mikami ◽  
Hiroyuki Shimada ◽  
...  

2013 ◽  
Vol 95 ◽  
pp. 54-59 ◽  
Author(s):  
Yuji Okuyama ◽  
Takeshi Kozai ◽  
Takaaki Sakai ◽  
Maki Matsuka ◽  
Hiroshige Matsumoto

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