Quantum dynamics of O17 in collision with ortho- and para- O17O17
نویسندگان
چکیده
منابع مشابه
Momentum Transfer Rate Constants for Collision of Cl-with Trans-Dichloroethylene and Para-Difluorobenzene
A classical theory is developed which calculates the momentum transfer rate constant between an ion and a non-polar molecule. The model takes into consideration the effect of diffraction outside the capture limit on the rate constants. The theory is used to calculate momentum transfer rate constant for Cl- with trans-dichloroethylene and para-difluorobenzene. Theoretical results ...
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15 صفحه اولSeparating para and ortho water.
Water exists as two nuclear-spin isomers, para and ortho, determined by the overall spin of its two hydrogen nuclei. For isolated water molecules, the conversion between these isomers is forbidden and they act as different molecular species. Yet, these species are not readily separated, and no pure para sample has been produced. Accordingly, little is known about their specific physical and che...
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We report the first full-dimensional potential energy surface (PES) and quantum mechanical close-coupling calculations for scattering of SiO due to H2. The full-dimensional interaction potential surface was computed using the explicitly correlated coupled-cluster (CCSD(T)-F12b) method and fitted using an invariant polynomial approach. Pure rotational quenching cross sections from initial states...
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ژورنال
عنوان ژورنال: Physical Review A
سال: 2020
ISSN: 2469-9926,2469-9934
DOI: 10.1103/physreva.102.012810