Электронная библиотека (репозиторий) Томского государственного университета
Tyuterev, Vladimir G. | озон | Tashkun, Sergey A.

Add to Quick Collection   All 2 Results

Showing items 1 - 2 of 2.
  • «
  • ←
  • 1
  • →
  • »
Sort:
 Add All Items to Quick Collection
Add   Accurate ab initio dipole moment surfaces of ozone: First principle intensity predictions for rotationally resolved spectra in a large range of overtone and combination bands
Authors: Tyuterev, Vladimir G. | Kochanov, Roman V. | Tashkun, Sergey A.
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
Add   Does the "reef structure" at the ozone transition state towards the dissociation exist? New insight from calculations and ultrasensitive spectroscopy experiments
Authors: Tyuterev, Vladimir G. | Campargue, Alain | Kassi, Samir | Mondelain, Didier | Barbe, Alain | Starikova, Evgeniya N. | Backer, Marie-Renée de | Szalay, P. G. | Tashkun, Sergey A. | Kochanov, Roman V.
Source: Physical Review Letters. 2014. Vol. 113, № 14. P. 143002-1-143002-5
Type: статьи в журналах
Date: 2014
Description: Since the discovery of anomalies in ozone isotope enrichment, several fundamental issues in the dynamics linked to the shape of the potential energy surface in the transition state region have been ra ... More
  • «
  • ←
  • 1
  • →
  • »
^