version 0.1
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XML-schema |
Notation |
Molecules |
| Diatomic closed shell |
dcs |
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CO, N2, NO + |
| Hund’s case (a) diatomics |
hunda |
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NO, OH [for low J] |
| Hund’s case (b) diatomics ( hundb ) |
hundb |
|
O2, OH [for high J] |
| Closed-shell, linear triatomic molecules |
ltcs |
ltcs_Notation_Dinf_h_Normal_Modes |
12C16O2, 13C16O2, 14C16O2, 12C17O2, 12C18O2, 13C17O2, 13C18O2, 14C16O2, 14C18O2,
HCN |
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ltcs_Notation_Cinf_v_Normal_Modes |
12C16O17O, 12C16O18O, 13C16O17O, 13C16O18O |
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ltcs_Notation_Dinf_h_CDSD |
12C16O2, 13C16O2, 14C16O2, 12C17O2, 12C18O2, 13C17O2, 13C18O2, 14C16O2, 14C18O2, |
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ltcs_Notation_Cinf_v_CDSD |
12C16O17O, 12C16O18O, 13C16O17O, 13C16O18O |
| Closed-shell, non-linear triatomic molecules |
nltcs |
nltcs_Notation_C2v_Normal_Modes |
H216O, H217O, H218O, D216O, D217O, D218O, T216O, T218O, |
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nltcs_Notation_Cs_Normal_Modes |
HD16O, HD17O, HD18O,HTO, DTO, |
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nltcs_Notation_C2v_BT2 |
H216O, H217O, H218O, D216O, |
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nltcs_Notation_Cs_VTT |
HD16O, HD17O, HD18O |
| Closed-shell, symmetric top molecules |
stcs |
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NH3, CH3Cl |
| Closed-shell, linear, polyatomic molecules |
lpcs |
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C2H 2 |
| Closed-shell, asymmetric top molecules |
asymcs |
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C2H 4 |
| Open-shell, asymmetric top molecules |
asymos |
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CH3O |
| Closed-shell, spherical top molecules |
sphcs |
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CH4, SF 6 |
| Open-shell, spherical top molecules |
sphos |
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| Open-shell, linear triatomic molecules |
ltos |
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CCH |
| Open-shell, linear, polyatomic molecules |
lpos |
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C3H, C10H |
| Open-shell, non-linear triatomic molecules |
nltos |
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HO2, CH 2 |
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