Электронная библиотека (репозиторий) Томского государственного университета
Kalugina, Yulia N.

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Add   Analysis of radial cross sections of the potential energy of the interacting O3–O2 complex
Authors: Egorov, Oleg V. | Kalugina, Yulia N.
Source: Russian physics journal. 2022. Vol. 65, № 3. P. 403-409
Type: статьи в журналах
Date: 2022
Add   Rotational excitation of NS+ by H2 revisited: A new global potential energy surface and rate coefficients
Authors: Bop, C. T. | Kalugina, Yulia N. | Lique, François
Source: Journal of chemical physics. 2022. Vol. 156, № 20. P. 204311-1-204311-7
Type: статьи в журналах
Date: 2022
Description: Due to the lack of specific collisional data, the abundance of NS+ in cold dense interstellar clouds was determined using collisional rate coefficients of CS as a substitute. To better understand the ... More
Add   Ab initio study of the O3–N2 complex: Potential energy surface and rovibrational states
Authors: Kalugina, Yulia N. | Egorov, Oleg V. | van der Avoird, Ad
Source: Journal of chemical physics. 2021. Vol. 155, № 5. P. 054308-1-054308-12
Type: статьи в журналах
Date: 2021
Description: The formation and destruction of O3 within the Chapman cycle occurs as a result of inelastic collisions with a third body. Since N2 is the most abundant atmospheric molecule, it can be considered as t ... More
Add   Collisional excitation of NH by H2: Potential energy surface and scattering calculations
Authors: Pirlot, Paul | Kalugina, Yulia N. | Ramachandran, Ragav | Raffy, Guillaume | Dagdigian, Paul J. | Lique, François
Source: Journal of chemical physics. 2021. Vol. 155, № 13. P. 134303-1-134303-9
Type: статьи в журналах
Date: 2021
Add   Fitting potential energy and induced dipole surfaces of the van der Waals complex CH4–N2 using non-product quadrature grids
Authors: Finenko, Artem A. | Chistikov, Daniil N. | Kalugina, Yulia N. | Conway, Eamon K. | Gordon, Iouli E.
Source: Physical chemistry chemical physics. 2021. Vol. 23, № 34. P. 18475-18494
Type: статьи в журналах
Date: 2021
Add   Simulation of collision-induced absorption spectra based on classical trajectories and ab initio potential and induced dipole surfaces. II. CO2–Ar rototranslational band including true dimer contribution
Authors: Chistikov, Daniil N. | Finenko, Artem A. | Kalugina, Yulia N. | Lokshtanov, Sergei E. | Petrov, Sergey V. | Vigasin, Andrey A.
Source: Journal of chemical physics. 2021. Vol. 155, № 6. P. 064301-1-064301-17
Type: статьи в журналах
Date: 2021
Add   Ab initio calculations of electric multipole moments, (higher) polarizabilities and first hyperpolarizabilitiy of (H2S)n, n = 1-4
Authors: Kalugina, Yulia N. | Sunchugashev, Dmitriy A. | Cherepanov, Victor N.
Source: Chemical physics letters. 2018. Vol. 692. P. 184-190
Type: статьи в журналах
Date: 2018
Description: In this work, the electric multipole moments and the polarizabilities , and the first hyperpolarizability for H2S have been calculated at the MP2, CCSD and CCSD(T)/aug-cc-pVXZ (X = T, Q, 5) levels of ... More
Add   Ab initio potential and rotational spectra of the CO-N2 complex
Authors: Tarabukin, I. V. | Schlemmer, S. | Kalugina, Yulia N. | van der Avoird, A. | Surin, L. A.
Source: Journal of chemical physics. 2018. Vol. 148, № 4. P. 044313-1-044313-1
Type: статьи в журналах
Date: 2018
Description: Ab initio calculations of the intermolecular potential energy surface (PES) of CO–N2 have been carried out using the closed-shell single- and double-excitation coupled cluster approach with a non-iter ... More
Add   Interaction of H2O with CO: potential energy surface, bound states and scattering calculations
Authors: Faure, A. | van der Avoird, A. | Walker, K. | Lique, Francois | Kalugina, Yulia N.
Source: Physical chemistry chemical physics. 2018. Vol. 20, № 8. P. 5469-5477
Type: статьи в журналах
Date: 2018
Description: Collisions between H2O and CO play a crucial role in the gaseous component of comets and protoplanetary disks. We present here a five-dimensional potential energy surface (PES) for the H2O-CO collisio ... More
Add   Transient reducing greenhouse warming on early Mars
Authors: Kalugina, Yulia N. | Lokshtanov, S. E. | Vigasin, A. A. | Ehlmann, B. | Head, J. | Sanders, C. | Wang, H. | Wordsworth, R.
Source: Geophysical research letters. 2017. Vol. 44, № 2. P. 665-671
Type: статьи в журналах
Date: 2017
Description: The evidence for abundant liquid water on early Mars despite the faint young Sun is a long‐standing problem in planetary research. Here we present new ab initio spectroscopic and line‐by‐line climate ... More
Add   Ab initio calculations of static dipole polarizabilities and Cauchy moments for the halomethanes, CHmClnF4mn
Authors: Kalugina, Yulia N. | Thakkar, Ajit J.
Source: Chemical physics letters. 2016. Vol. 644. P. 20-24
Type: статьи в журналах
Date: 2016
Description: Coupled-cluster calculations of the static electronic dipole polarizabilities and Cauchy moments are reported for all 15 halomethanes CHmClnF4−m−n. Comparison with available experimental static polari ... More
Add   Dipole-octupole polarisability of uranium hexafluoride and theoretical prediction of anisotropic light-scattering spectrum using new intermolecular potential
Authors: El-Kader, M. S. A. | Kalugina, Yulia N.
Source: Molecular physics. 2016. Vol. 114, № 1. P. 44-52
Type: статьи в журналах
Date: 2016
Description: The higher order dipole–octupole polarisability of uranium hexafluoride has been determined from anisotropic collision-induced light scattering (CILS) of gaseous UF6. A new isotropic intermolecular po ... More
Add   Hints of a rotating spiral structure in the innermost regions around IRC+10216
Authors: Quintana-Lacaci, G. | Agundez, M. | Velilla Prieto, L. | Castro-Carrizo, A. | Marcelino, N. | Cabezas, C. | Pena, I. | Alonso, J. L. | Zuniga, J. | Cernicharo, José | Requena, A. | Bastida, A. | Kalugina, Yulia N. | Lique, Francois | Guelin, M.
Source: The astrophysical journal. 2016. Vol. 818. № 2. P. 192-212
Type: статьи в журналах
Date: 2016
Description: The Atacama Large Millimeter/submillimeter Array is allowing us to study the innermost regions of the circumstellar envelopes of evolved stars with unprecedented precision and sensitivity. Key process ... More
Add   The hyperfine excitation of OH radicals by He
Authors: Marinakis, Sarantos | Kalugina, Yulia N. | Lique, Francois
Source: The European physical journal D. 2016. Vol. 70, № 4. P. 97-103
Type: статьи в журналах
Date: 2016
Description: Hyperfine-resolved collisions between OH radicals and He atoms are investigated using quantum scattering calculations and the most recent ab initio potential energy surface, which explicitly takes int ... More
Add   A new ab initio potential energy surface for the collisional excitation of N 2H+by H2
Authors: Spielfiedel, Annie | Kalugina, Yulia N. | Scribano, Yohann | Balança, Christian | Lique, Francois | Feautrier, Nicole | Senent, Maria Luisa
Source: Journal of chemical physics. 2015. Vol. 143, № 2. P. 024301-1-024301-10
Type: статьи в журналах
Date: 2015
Description: We compute a new potential energy surface (PES) for the study of the inelastic collisions between N2H+ and H2 molecules. A preliminary study of the reactivity of N2H+ with H2 shows that neglecting rea ... More

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