Электронная библиотека (репозиторий) Томского государственного университета

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Source: Journal of chemical physics. 2017. Vol. 146, № 6. P. 064304-1-064304-26
Type: статьи в журналах
Date: 2017
Description: Ab initio dipole moment surfaces (DMSs) of the ozone molecule are computed using the MRCI-SD method with AVQZ, AV5Z, and VQZ-F12 basis sets on a dense grid of about 1950 geometrical configurations. Th ... More
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
Source: XVIII Simposium and School on High Resolusion Molecular Spectroscopy HighRus-2015, June 30 – July 4, 2015 : Abstracts of Reports. Tomsk, 2015. P. 32
Type: статьи в сборниках
Date: 2015
Source: The Twenty-fourth Colloquium on High Resolution Molecular Spectroscopy, Dijon, France, August 24–28, 2015. Dijon, 2015. P. 334
Type: статьи в сборниках
Date: 2015
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
Source: The Twenty-fourth Colloquium on High Resolution Molecular Spectroscopy, Dijon, France, August 24–28, 2015. Dijon, 2015. P. 148
Type: статьи в сборниках
Date: 2015
Source: The Twenty-fourth Colloquium on High Resolution Molecular Spectroscopy, Dijon, France, August 24–28, 2015. Dijon, 2015. P. 231-232
Type: статьи в сборниках
Date: 2015
Source: XVIII Simposium and School on High Resolusion Molecular Spectroscopy HighRus-2015, June 30 – July 4, 2015 : Abstracts of Reports. Tomsk, 2015. P. 24
Type: статьи в сборниках
Date: 2015
Source: Physical Review B. 2015. Vol. 91, № 5. P. 054301-1-054301-17
Type: статьи в журналах
Date: 2015
Description: We use ab initio and classical molecular dynamics (AIMD and CMD) based on the modified embedded-atom method (MEAM) potential to simulate diffusion of N vacancy and N self-interstitial point defects in ... More
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