Электронная библиотека (репозиторий) Томского государственного университета
2015

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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
Add   Ab initio study of the CH4-Ar potential and induced dipole surfaces: true bound dimer content and collision-induced absorption
Authors: Kalugina, Yulia N. | Lokshtanov, S. E. | Vigasin, A. A.
Source: The Twenty-fourth Colloquium on High Resolution Molecular Spectroscopy, Dijon, France, August 24–28, 2015. Dijon, 2015. P. 269
Type: статьи в сборниках
Date: 2015
Add   Potential energy surface of the CO2-N2 van der Waals complex
Authors: Nasri, Sameh | Jaidane, Nejm Eddine | Kalugina, Yulia N. | Halvick, Philippe | Stoecklin, Thierry | Hochlaf, Majdi | Ajili, Yosra
Source: Journal of chemical physics. 2015. Vol. 142, № 17. P. 174301-1-174301-8
Type: статьи в журналах
Date: 2015
Description: Four-dimensional potential energy surface (4D-PES) of the atmospherically relevant CO2–N2 van der Waals complex is generated using the explicitly correlated coupled cluster with single, double, and pe ... More
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