We have located links that may give you full text access.
Electronic Structure of OsSi Calculated by MS-NEVPT2 with Inclusion of the Relativistic Effects.
Journal of Physical Chemistry. A 2018 June 22
The electronic states of OsSi are calculated by multi-state N-electron valence state second order perturbation theory (MS-NEVPT2) with all-electron basis sets. The relativistic effects are considered comprehensively that allows us to identify the X3 Σ0+ - ground state. The theoretical equilibrium bond length 2.103 Å is close to the experimental measurement of 2.1207 Å while the vibrational frequency 466 cm-1 is smaller than the experimental value of 516 cm-1 . Two excited states, namely 3 Π1 (I) and 3 Π1 (II), are located at 15568 and 18316 cm-1 above the ground state, respectively. The 3 Π1 (I) ← X3 Σ0+ - transition has been assigned to the experimental spectra at 15729 cm-1 and 3 Π1 (II) ← X3 Σ0+ - may produce the bands near 18469 cm-1 . Although the latter transition energy is in accord with the experimental spectra, theoretical calculations give too small oscillator strength. Moreover, plenty of excited states with considerable oscillator strengths are located that could serve as reference data in future experiments. The four low-lying states of OsC are also calculated for comparison.
Full text links
Related Resources
Trending Papers
Challenges in Septic Shock: From New Hemodynamics to Blood Purification Therapies.Journal of Personalized Medicine 2024 Februrary 4
Molecular Targets of Novel Therapeutics for Diabetic Kidney Disease: A New Era of Nephroprotection.International Journal of Molecular Sciences 2024 April 4
The 'Ten Commandments' for the 2023 European Society of Cardiology guidelines for the management of endocarditis.European Heart Journal 2024 April 18
A Guide to the Use of Vasopressors and Inotropes for Patients in Shock.Journal of Intensive Care Medicine 2024 April 14
Get seemless 1-tap access through your institution/university
For the best experience, use the Read mobile app
All material on this website is protected by copyright, Copyright © 1994-2024 by WebMD LLC.
This website also contains material copyrighted by 3rd parties.
By using this service, you agree to our terms of use and privacy policy.
Your Privacy Choices
You can now claim free CME credits for this literature searchClaim now
Get seemless 1-tap access through your institution/university
For the best experience, use the Read mobile app