Development and Application of ReaxFF Methodology for Understanding the Chemical Dynamics of Metal Carbonates in Aqueous Solutions
Keyword(s):
A new ReaxFF reactive force field has been developed for metal carbonate systems including Na+, Ca2+, and Mg2+ cations and the CO32- anion. This force field is fully transferable with...
Keyword(s):
2018 ◽
Vol 123
(2)
◽
pp. 1208-1218
◽
Keyword(s):
2012 ◽
Vol 116
(15)
◽
pp. 3918-3925
◽
2019 ◽
Vol 151
(9)
◽
pp. 094503
◽
2017 ◽
Vol 8
(13)
◽
pp. 2812-2818
◽
2013 ◽
Vol 28
(9)
◽
pp. 1155-1164
◽
Keyword(s):
2014 ◽
Vol 161
(8)
◽
pp. E3009-E3014
◽