ТГУ.Сотрудники

Никитин Андрей Владимирович

Публикации

Общее число записей - 84
1 Egorov O.V., Rey M., Viglaska D., Nikitin A.V. Accurate ab initio potential energy surface, rovibrational energy levels and resonance interactions of triplet (X3B1) methylene // Journal of Computational Chemistry. 2024. Vol. 45, № 2. P. 83‒100. DOI: 10.1002/jcc.27220
2 Observation and analysis of v1+v3 and v1+2v4 bands of CF4 molecule / I.S. Chizhmakova, A.V. Nikitin, L.N. Sinitsa, V.I. Serdyukov [et al] // Journal of Quantitative Spectroscopy and Radiative Transfer. 2023. Vol. 306. Art. num. 108616. DOI: 10.1016/j.jqsrt.2023.108616
3 Rey M., Viglaska D., Egorov O.V., Nikitin A.V. A numerical-tensorial “hybrid” nuclear motion Hamiltonian and dipole moment operator for spectra calculation of polyatomic nonrigid molecules // Journal of Chemical Physics. 2023. Vol. 159, № 11. Art. num. 114103. DOI: 10.1063/5.0166657
4 High-level ab initio study of disulfur monoxide: Ground state potential energy surface and band origins for six isotopic species / O.V. Egorov, R.V. Kochanov, A.V. Nikitin, V.G. Tyuterev [et al] // Chemical Physics Letters. 2023. Vol. 811. Art. num. 140216. DOI: 10.1016/j.cplett.2022.140216
5 Tyuterev V.G., Tashkun S.A., Rey M., Nikitin A.V. High-order contact transformations of molecular Hamiltonians: general approach, fast computational algorithm and convergence of ro-vibrational polyad models // Molecular Physics. 2022. Vol. 120, № 15-16. Art. num. e2096140. DOI: 10.1080/00268976.2022.2096140
6 Improved line list of 12CH4 in the 4100-4300 cm-1 region / V.G. Tyuterev, A.A. Rodina, A.V. Nikitin, L. Manceron [et al] // Journal of Quantitative Spectroscopy and Radiative Transfer. 2022. Vol. 279. Art. num. 108021. DOI: 10.1016/j.jqsrt.2021.108021
7 Ro-vibrational levels and their (e-f) splitting of acetylene molecule calculated from new potential energy surfaces / V.G. Tyuterev, A.V. Nikitin, A.E. Protasevich, A.A. Rodina [et al] // Journal of Quantitative Spectroscopy and Radiative Transfer. 2022. Vol. 292. Art. num. 108349. DOI: 10.1016/j.jqsrt.2022.108349
8 The 2020 edition of the GEISA spectroscopic database / V.G. Tyuterev, T.Delahaye, A.V. Nikitin, E.N. Starikova [et al] // Journal of Molecular Spectroscopy. 2021. Vol. 380. Art. num. 111510. DOI: 10.1016/j.jms.2021.111510
9 Modelling of the 2V1- V1 and V1 band transitions of 13CH4 using high resolution Raman spectroscopy measurements / Y.S. Chizhmakova, A.V. Nikitin, E.N. Starikova, V.G. Tyuterev [et al] // Journal of Quantitative Spectroscopy and Radiative Transfer. 2021. Vol. 270. Art. num. 107682. DOI: 10.1016/j.jqsrt.2021.107682
10 Total internal partition sums for the HITRAN2020 database / V.G. Tyuterev, O.V. Egorov, R.R. Gamache, B. Vispoel [et al] // Journal of Quantitative Spectroscopy and Radiative Transfer. 2021. Vol. 271. Art. num. 107713. DOI: 10.1016/j.jqsrt.2021.107713
11 Rey M., Chizhmakova I.S., Nikitin A.V., Tyuterev V.G. Elucidation of the ro-vibrational band structure in the SF6 infrared spectrum from full quantum-mechanical calculations // Physical Chemistry Chemical Physics. 2021. Vol. 23, № 21. P. 12115‒12126. DOI: 10.1039/d0cp05727d
12 Vibrational levels of formaldehyde: Calculations from new high precision potential energy surfaces and comparison with experimental band origins / V.G. Tyuterev, A.V. Nikitin, A.E. Protasevich, A.A. Rodina [et al] // Journal of Quantitative Spectroscopy and Radiative Transfer. 2021. Vol. 260. Art. num. 107478. DOI: 10.1016/j.jqsrt.2020.107478
13 Viglaska-Aflalo D., Rey M., Nikitin A.V., Delahaye T.A. Global view of isotopic effects on ro-vibrational spectra of six-atomic molecules: a case study of eleven ethylene species //Physical Chemistry Chemical Physics. 2020. Vol. 22, № 34. P. 3204-3216.
14 Viglaska D., Rey M., Nikitin A.V., Tyuterev V.G. Derivation of rho -dependent coordinate transformations for nonrigid molecules in the Hougen-Bunker-Johns formalism //Journal of Chemical Physics. 2020. Vol. 153, № 8. P. 1-15.
15 Koshelev M.A., Vilkov I.N., Egorov O.V., Nikitin A.V., Rey M. High-sensitivity measurements of 12CH3D pure rotational lines in ground and excited vibrational states in the subTHz region //Journal of Quantitative Spectroscopy and Radiative Transfer. 2020. Vol. 242. P. 1-22.
16 Nikitin A.V., Rey M., Chizhmakova I.S., Tyuterev V.G. First Full-Dimensional Potential Energy and Dipole Moment Surfaces of SF6 //Journal of Physical Chemistry A. 2020. Vol. 124, № 35. P. 7014-7023.
17 Nikitin A.V., Rodina A.A., Thomas X., Manceron L., Daumont L., Rey M., Sung K, Tashkun S.A., Chizhmakova I.S., Tyuterev Vl. G., and 1 more. Line list of 12CH4 in the 4300-4600 cm-1 region //Journal of Quantitative Spectroscopy and Radiative Transfer. 2020. Vol. 253. P. 1-29.
18 Hargreaves R.J., Gordon I.E., Rey M., Nikitin A.V., Tyuterev V.G., Kochanov R.V., Rothman L.S., and 1 more. An Accurate, Extensive, and Practical Line List of Methane for the HITEMP Database //Astrophysical Journal. Supplement Series. 2020. Vol. 247, № 2. P. 1-19.
19 Rodina A.A., Egorov O.V., Nikitin A.V., Rey M., Serdyukov V.I., Sinitsa L.N., Tashkun S.A. Line list for NF3 molecule in the 1750-1950 cm-1 region //Journal of Quantitative Spectroscopy and Radiative Transfer. 2019. Vol. 232. P. 10-19.
20 Egorov O.V., Nikitin A.V., Rey M., Rodina A.A., Tashkun S.A., Tyuterev V.G. Global modeling of NF3 line positions and intensities from far to mid-infrared up to 2200 cm^-1 //Journal of Quantitative Spectroscopy and Radiative Transfer. 2019. Vol. 239. P. 106668-1-106668-16.
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