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Page 1
Performance of the DLPNO-CCSD and recent DFT methods in the calculation of isotropic and dipolar contributions to 14N hyperfine coupling constants of nitroxide radicals.
J Mol Model. 2021 Jun 1;27(6):194. doi: 10.1007/s00894-021-04807-z.
J Mol Model. 2021.
PMID: 34075533
Performance of DFT methods in the calculation of isotropic and dipolar contributions to 14N hyperfine coupling constants of nitroxide radicals.
Gromov OI, Kuzin SV, Golubeva EN.
Gromov OI, et al.
J Mol Model. 2019 Mar 11;25(4):93. doi: 10.1007/s00894-019-3966-y.
J Mol Model. 2019.
PMID: 30859325
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UV-Vis identification and DFT-assisted prediction of structures of Cu(II)-alkyl chlorocomplexes.
Gromov OI, Zubanova EM, Golubeva EN, Plyusnin VF, Zhidomirov GM, Melnikov MY.
Gromov OI, et al.
J Phys Chem A. 2012 Nov 29;116(47):11581-5. doi: 10.1021/jp309222y. Epub 2012 Nov 14.
J Phys Chem A. 2012.
PMID: 23131043
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Solute Diffusion into Polymer Swollen by Supercritical CO2 by High-Pressure Electron Paramagnetic Resonance Spectroscopy and Chromatography.
Gromov OI, Kostenko MO, Petrunin AV, Popova AA, Parenago OO, Minaev NV, Golubeva EN, Melnikov MY.
Gromov OI, et al.
Polymers (Basel). 2021 Sep 10;13(18):3059. doi: 10.3390/polym13183059.
Polymers (Basel). 2021.
PMID: 34577959
Free PMC article.
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Correction to: Performance of the DLPNO-CCSD and recent DFT methods in the calculation of isotropic and dipolar contributions to 14 N hyperfine coupling constants of nitroxide radicals.
Gromov OI.
Gromov OI.
J Mol Model. 2021 Sep 24;27(10):298. doi: 10.1007/s00894-021-04913-y.
J Mol Model. 2021.
PMID: 34559309
No abstract available.
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Cu(II)-alkyl chlorocomplexes: stable compounds or transients? DFT prediction of their structure and EPR parameters.
Golubeva EN, Gromov OI, Zhidomirov GM.
Golubeva EN, et al. Among authors: gromov oi.
J Phys Chem A. 2011 Jul 21;115(28):8147-54. doi: 10.1021/jp202314h. Epub 2011 Jun 23.
J Phys Chem A. 2011.
PMID: 21667962
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