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Keyword
6-31G**
1
AutoSolvate
1
DFT
1
DNA
1
MD
1
MM
1
Mars
1
QM
1
TeraChem
1
b3lyp
1
basis set
1
box generation
1
brines
1
density functional theory
1
explicit solvation
1
guanine
1
implicit solvation
1
perchlorate
1
redox potential
[remove]
1
simulation
1