Zobrazeno 1 - 10
of 79
pro vyhledávání: '"Nikolai F. Zobov"'
Autor:
Abneesh Srivastava, Adam J. Fleisher, Hongming Yi, Nikolai F. Zobov, Oleg L. Polyansky, Joseph T. Hodges
Publikováno v:
Nat Phys
Measurements of isotope ratios are predominantly made with reference to standard specimens that have been characterized in the past. In the 1950s, the carbon isotope ratio was referenced to a belemnite sample collected by Heinz Lowenstam and Harold U
Autor:
Roman I. Ovsyannikov, Vladimir Yu. Makhnev, Nikolai F. Zobov, Jacek Koput, Jonathan Tennyson, Oleg L. Polyansky
Publikováno v:
The Journal of chemical physics. 156(16)
A highly accurate, (HF)2 potential energy surface (PES) is constructed based on ab initio calculations performed at the coupled-cluster single double triple level of theory with an aug-cc-pVQZ-F12 basis set at about 152 000 points. A higher correlati
Laser measurements of the intensity of (201) 3$_{22}$ -- (000) 2$_{21}$ near-infrared water absorption line at 10670.1 \cm\ are made using three different Herriott cells. These measurements determine the line intensity with an standard deviation belo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4242f9b50bac1369ba1003e9e1766ad9
Autor:
Oleg L. Polyansky, Vladimir Yu. Makhnev, Nikolai F. Zobov, S.P. Belov, Roman I. Ovsyannikov, Jonathan Tennyson, Mikhail Yu. Tretyakov
A very accurate, (HF)$_2$ potential energy surface (PES) due to Huang et al. (J. Chem. Phys., 150, 154302 (2019)) is used to calculate the energy levels of the HF dimer by solving the nuclear-motion Schr\"{o}dinger equation using variational program
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1d0762913b26fd20aac6527a6ee2788b
http://arxiv.org/abs/2107.09014
http://arxiv.org/abs/2107.09014
Publikováno v:
Journal of Molecular Spectroscopy. 386:111621
Autor:
Irina I. Mizus, Jonathan Tennyson, Laura K. McKemmish, Oleg L. Polyansky, Alexander Alijah, Nikolai F. Zobov
Publikováno v:
Molecular Physics
Molecular Physics, Taylor & Francis, 2018, 117 (13), pp.1663-1672. ⟨10.1080/00268976.2018.1554195⟩
Molecular Physics, Taylor & Francis, 2018, 117 (13), pp.1663-1672. ⟨10.1080/00268976.2018.1554195⟩
A globally correct potential energy surface (PES) for the \hp\ molecular ion is presented. The Born-Oppenheimer (BO) \ai\ grid points of Pavanello et. al. [\textit{J. Chem. Phys.} {\bf 136}, 184303 (2012)] are refitted as BOPES75K, which reproduces t
Autor:
Eldon Lopes, Valery I. Perevalov, Tibor Furtenbacher, David W. Schwenke, Sergei N. Yurchenko, Aleksandra A. Kyuberis, Timothy J. Lee, Laurence S. Rothman, Roman V. Kochanov, Nikolai F. Zobov, Sergei A. Tashkun, Xinchuan Huang, Robert R. Gamache, Brian J. Drouin, Jonathan Tennyson, Oleg L. Polyansky, Christopher D. Roller, Attila G. Császár, Iouli E. Gordon
Publikováno v:
Journal of Quantitative Spectroscopy and Radiative Transfer. 203:70-87
Total internal partition sums (TIPS) are reported for 166 isotopologues of 51 molecules important in planetary atmospheres. Molecules 1 to 50 are taken from the HITRAN2016 list, and, in some cases, additional isotopologues are considered for some of
Publikováno v:
Journal of Quantitative Spectroscopy and Radiative Transfer
Journal of Quantitative Spectroscopy and Radiative Transfer, Elsevier, 2021, 269, pp.107651. ⟨10.1016/j.jqsrt.2021.107651⟩
Journal of Quantitative Spectroscopy and Radiative Transfer, Elsevier, 2021, 269, pp.107651. ⟨10.1016/j.jqsrt.2021.107651⟩
A synthetic line list for the ozone molecule is presented. Variational calculation using the semi-empirical potential energy surface (PES) and ab initio dipole moment surface (DMS) produce very accurate values of line intensities, but give line posit
Autor:
Joseph T. Hodges, Abneesh Srivastava, Hongming Yi, Nikolai F. Zobov, Adam J. Fleisher, Oleg L. Polyansky
Publikováno v:
Nature Physics. 17:975-975
Autor:
Andrey Yachmenev, Roman I. Ovsyannikov, Sergei N. Yurchenko, Nikolai F. Zobov, Aleksandra A. Kyuberis, Lorenzo Lodi, Jonathan Tennyson, Oleg L. Polyansky
Publikováno v:
Journal of Molecular Spectroscopy. 327:21-30
An ab initio potential energy surface (PES) for gas-phase ammonia NH3 has been computed using the methodology pioneered for water (Polyansky et al., 2013). Multireference configuration interaction calculations are performed at about 50 000 points usi