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J/ApJ/825/96
141
IR spectrum of protonated ovalene (7-C
32
H
15
+
) (Tsuge+, 2016)
ReadMe+ftp
2016ApJ...825...96T
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1.
J/ApJ/825/96/table2
*Comparison of experimental observation with vibrational wavenumbers and IR intensities of 7-C
32
H
15
+
predicted with the B3PW91 method
(Note)
(170 rows)
meta
J/ApJ/825/96/table2
2.
J/ApJ/825/96/table3
*Vibrational wavenumbers and relative IR intensities of 1-, 2-, and 3-C
32
H
15
+
predicted with the B3PW91/6-311++G(2d,2p) method
(Note)
(135 rows)
meta
J/ApJ/825/96/table3
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Column
Constraint
Explain
(
UCD
)
(ALL)
recno
Record number assigned by the VizieR team. Should Not be used for identification.
(
meta.record
)
(
RECORD
)
(ALL)
Mode
(char)
Vibrational mode number
(
phys.atmol.qn
)
(
AT_Q-N_VIBRATIONAL
)
(ALL)
Sym
(char)
Symmetry of vibrational mode
(
phys.atmol.parity
)
(
AT_PARITY
)
(1)
p-H2
(char)
Observed 7-C
32
H_15
+
vibrational wavenumber
(Note 1)
(
em.freq
)
(
SPECT_LINE_FREQUENCY
)
(1)
f_p-H2
(char)
[e] Flag on p-H2
(Note 2)
(
meta.code
)
(
CODE_MISC
)
(1)
Calc
(char)
Calculated 7-C
32
H_15
+
vibrational wavenumber
(Note 3)
(
em.freq
)
(
SPECT_LINE_FREQUENCY
)
(1)
f_Calc
(char)
[f] Flag on Calc
(Note 2)
(
meta.code
)
(
CODE_MISC
)
(1)
Des
(char)
Approximate description
(Note 4)
(
meta.note
)
(
NOTE
)
(2)
Wavenum-1
cm-1
[52/3073] Predicted wavenumber of 1-C
32
H
15
+
(
em.freq
)
(
SPECT_LINE_FREQUENCY
)
(2)
Norm-1
[0/100] Normalized value of Wavenumber-1
(Note 2)
(
phys.atmol
)
(
AT_DATA
)
(2)
Wavenum-2
cm-1
[53/3072] Predicted wavenumber of 2-C
32
H
15
+
(
em.freq
)
(
SPECT_LINE_FREQUENCY
)
(2)
Norm-2
[0/100] Normalized value of Wavenumber-2
(Note 3)
(
phys.atmol
)
(
AT_DATA
)
(2)
Wavenum-3
cm-1
[54/3071] Predicted wavenumber of 3-C
32
H
15
+
(
em.freq
)
(
SPECT_LINE_FREQUENCY
)
(2)
Norm-3
[0/100] Normalized value of Wavenumber-3
(Note 4)
(
phys.atmol
)
(
AT_DATA
)
ALL
cols
(i)
indexed column
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