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Advances in Physical Chemistry
Table of Contents
Special Issues
Advances in Physical Chemistry
/
2012
/
Article
/
Tab 2
/
Review Article
Constructing Potential Energy Surfaces for Polyatomic Systems: Recent Progress and New Problems
Table 2
HD product energy partitioning and vibrational distribution (percentages) for the H + CD
4
reaction at 1.52 eV.
Surface
𝑓
v
i
b
(HD)
𝑓
r
o
t
(HD)
HD (
𝑣
=
0
)
HD (
𝑣
=
1
)
Analytical
a
18
18
84
15
Fitted
b
22
18
78
22
Exp.
c
7
9
≥95
a
CBE surface, [
41
]
b
ZBB1 surface, [
55
]
c
Valentini et al. [
61
].