Assessment of a computational strategy approaching spectroscopic accuracy for structure, magnetic properties and vibrational frequencies of organic free radicals: the F2CN and F2BO case-Reference-Cited by-同舟云学术

Assessment of a computational strategy approaching spectroscopic accuracy for structure, magnetic properties and vibrational frequencies of organic free radicals: the F2CN and F2BO case

Published:2008 Issue:46 Volume:10 Page:6991
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Puzzarini Cristina,Barone Vincenzo

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2008/CP/B813145G

Reference46 articles.

1. Coupled Cluster Theory with Emphasis on Selected New Developments

2. The use of systematic sequences of wave functions for estimating the complete basis set, full configuration interaction limit in water

3. Basis-set convergence of correlated calculations on water

4. Interplay of Electronic, Environmental, and Vibrational Effects in Determining the Hyperfine Coupling Constants of Organic Free Radicals

5. High-Level Coupled-Cluster Methods for Electron Spin Resonance Spectra: On the Experimental Spectrum of the Silacyclobutane Radical Cation

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