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Autor:
Yan Wang, Xinlu Cheng
Publikováno v:
The Journal of Physical Chemistry A. 125:9318-9326
Based on the new 2A' and 4A' potential energy surfaces of NO2 fitted by Varga et al., we conducted a quasi-classical trajectory study on the N(4S) +O2(X3Σg- ) → NO(2Π) + O(3P) reaction, focusing on the high vibrational state up to ν = 25. For di
Autor:
Timothy J. Lee, Brent R. Westbrook, Dev J. Patel, Ryan C. Fortenberry, G. Clark Swartzfager, Jax D. Dallas
Publikováno v:
The Journal of Physical Chemistry A. 125:8860-8868
The recent detection of ethynyl-functionalized cyclopropenylidene (c-C3HC2H) has initiated the search for other functional forms of cyclopropenylidene (c-C3H2) in space. There is existing gas-phase rotational spectroscopic data for cyano-cyclopropeny
Publikováno v:
The Journal of Physical Chemistry. a
In this work, we calculate the partition functions and thermodynamic quantities of molecular hydrogen isotopologues using the rovibrational energy levels provided by the highly accurate ab initio adiabatic potential energy functions recently determin
Publikováno v:
Nature physics, 2021, Vol.17(10), pp.1149-1153 [Peer Reviewed Journal]
Nature Physics
Nature Physics
Quantum states with long-lived coherence are essential for quantum computation, simulation and metrology. The nuclear spin states of ultracold molecules prepared in the singlet rovibrational ground state are an excellent candidate for encoding and st
Publikováno v:
Atmospheric and Oceanic Optics. 34:373-380
High-sensitivity spectra of the main ozone isotopologue were recorded using a cavity ring-down spectrometer in the region 7920–8670 cm−1, which covers the range up to the dissociation threshold and higher. A sensitivity on the order of 2 × 10−
Publikováno v:
The Journal of Physical Chemistry A. 125:3387-3397
Despite several studies in the literature, the detailed quantum state-to-state level mechanism of the astrophysically important exoergic barrierless H + LiH+ → H2 + Li+ reaction is yet to be understood. In this work, we have investigated the energy
Autor:
Elena Sergeevna Bekhtereva, N.I. Raspopova, Olga Vasilievna Gromova, Peter Sennikov, M.A. Koshelev
Publikováno v:
Russian Physics Journal. 63:1937-1946
A global fitting method has been developed for spherical top molecules. The octad of the GeH4 molecule comprising 24 interacting states has been investigated. By solving the inverse spectroscopic problem, positions of the band centers and rotational
Publikováno v:
Larnimaa, S, Vainio, M & Ulvila, V 2022, ' Infrared spectroscopy of radioactive hydrogen chloride H 36 Cl ', Journal of Quantitative Spectroscopy and Radiative Transfer, vol. 277, 107984 . https://doi.org/10.1016/j.jqsrt.2021.107984
We present the first report of optical absorption spectroscopy of H$^{36}\!$Cl, a radioactive isotopologue of hydrogen chloride. We used Fourier-transform infrared spectroscopy to determine the line center wavenumbers of the fundamental rovibrational
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9d0c7a6c01d57925fdc8416008a32dd4
https://trepo.tuni.fi/handle/10024/135708
https://trepo.tuni.fi/handle/10024/135708
Publikováno v:
Accounts of Chemical Research. 54:1311-1321
ConspectusWe review the Best Theory + Reliable High-Resolution Experiment (BTRHE) strategy for obtaining highly accurate molecular rovibrational line lists with InfraRed (IR) intensities. The need for highly accurate molecular rovibrational line list