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Materials Studio
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Adsorption Locator
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Amorphous Cell
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CASTEP
0.12
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0.0
Classical Simulations
1.0
DMol3
0.96
Forcite
0.08
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0.96
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1.0
Quantum Mechanics
0.96
Semi-empirical
1.0
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2015
0.3333333333333333
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0.3333333333333333
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2018
0.3333333333333333
2020
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2021
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2024
0.3333333333333333
2026
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Keywords
empirical
1.0
semi
1.0
target
0.7272727272727273
between
0.22727272727272727
reaction
0.18181818181818182
catalyst
0.13636363636363635
energy
0.13636363636363635
level
0.13636363636363635
mechanism
0.13636363636363635
surface
0.13636363636363635
active
0.09090909090909091
catalysis
0.09090909090909091
hybrid
0.09090909090909091
carbon
0.045454545454545456
catalytic
0.045454545454545456
combined
0.045454545454545456
higher
0.045454545454545456
hydrogen
0.045454545454545456
mechanical
0.045454545454545456
rate
0.045454545454545456
scale
0.045454545454545456
solution
0.045454545454545456
strong
0.045454545454545456
active site
0.0
catalytic activity
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