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Benchmarks
Estimating reaction statistics on Müller–Brown potential
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5.91
vR
BKE
3.4036
4.0543
4.705
5.3557
Apr 14, 2026
vR
Mean Q Error
kAB (Rate Constant)
kBA (Rate Constant)
pA (Probability/Fraction)
pB (Probability/Fraction)
ZAB
Keq (Equilibrium Constant)
Updated 1mo ago
Evaluation Results
Method
Method
Links
vR
Mean Q Error
kAB (Rate Constant)
kBA (Rate Constant)
pA (Probability/Fraction)
pB (Probability/Fraction)
ZAB
Keq (Equilibrium Constant)
BKE
importance sampling=true
2026.04
5.91
6.78
5.53
2.07
1.06
2.85
2.56
2.67
REACT-DBP
2026.04
5.44
4.98
5.57
2.09
9.76
2.6
8.87
2.66
REACT-VM
kappa=1.0
2026.04
5.01
3.2
5.13
1.96
9.77
2.56
2.69
2.63
FEM
2026.04
4.96
-
5.09
1.93
9.74
2.57
2.57
2.64
REACT-VM
kappa=0.8
2026.04
4.94
2.66
5.06
1.93
9.77
2.57
2.57
2.63
BKE
2026.04
3.5
1.12
3.59
1.36
9.77
2.58
6.87
2.64
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