Boldyrev AI - Search Results

1

On the suppression mechanism of the pseudo-Jahn-Teller effect in middle E6 (E = P, As, Sb) rings of triple-decker sandwich complexes.

Ivanov AS, Bozhenko KV, Boldyrev AI. Ivanov AS, et al. Among authors: boldyrev ai. Inorg Chem. 2012 Aug 20;51(16):8868-72. doi: 10.1021/ic300786w. Epub 2012 Jul 30. Inorg Chem. 2012. PMID: 22845625

2

Molecular wheel to monocyclic ring transition in boron-carbon mixed clusters C2B6⁻ and C3B5⁻.

Galeev TR, Ivanov AS, Romanescu C, Li WL, Bozhenko KV, Wang LS, Boldyrev AI. Galeev TR, et al. Among authors: boldyrev ai. Phys Chem Chem Phys. 2011 May 21;13(19):8805-10. doi: 10.1039/c1cp20359b. Epub 2011 Apr 12. Phys Chem Chem Phys. 2011. PMID: 21487619

3

Inorganic double-helix structures of unusually simple lithium-phosphorus species.

Ivanov AS, Morris AJ, Bozhenko KV, Pickard CJ, Boldyrev AI. Ivanov AS, et al. Among authors: boldyrev ai. Angew Chem Int Ed Engl. 2012 Aug 13;51(33):8330-3. doi: 10.1002/anie.201201843. Epub 2012 Jul 23. Angew Chem Int Ed Engl. 2012. PMID: 22821747 No abstract available.

4

Si(6-n)C(n)H6 (n = 0-6) series: when do silabenzenes become planar and global minima?

Ivanov AS, Boldyrev AI. Ivanov AS, et al. Among authors: boldyrev ai. J Phys Chem A. 2012 Sep 27;116(38):9591-8. doi: 10.1021/jp307722q. Epub 2012 Sep 13. J Phys Chem A. 2012. PMID: 22946702

5

Reliable predictions of unusual molecules.

Ivanov AS, Boldyrev AI. Ivanov AS, et al. Among authors: boldyrev ai. Phys Chem Chem Phys. 2012 Dec 14;14(46):15943-52. doi: 10.1039/c2cp42877f. Phys Chem Chem Phys. 2012. PMID: 23103915

6

On the way to the highest coordination number in the planar metal-centred aromatic Ta©B10- cluster: evolution of the structures of TaB(n)- (n = 3-8).

Li WL, Ivanov AS, Federič J, Romanescu C, Černušák I, Boldyrev AI, Wang LS. Li WL, et al. Among authors: boldyrev ai. J Chem Phys. 2013 Sep 14;139(10):104312. doi: 10.1063/1.4820401. J Chem Phys. 2013. PMID: 24050349

7

Structural changes in the series of boron-carbon mixed clusters C(x)B(10-x)- (x = 3-10) upon substitution of boron by carbon.

Popov IA, Popov VF, Bozhenko KV, Černušák I, Boldyrev AI. Popov IA, et al. Among authors: boldyrev ai. J Chem Phys. 2013 Sep 21;139(11):114307. doi: 10.1063/1.4820878. J Chem Phys. 2013. PMID: 24070290

8

Stabilization of a Cl(-)-Cl(-) anion pair in the gas phase: ab initio microsolvation study.

Ivanov AS, Frenking G, Boldyrev AI. Ivanov AS, et al. Among authors: boldyrev ai. J Phys Chem A. 2014 Sep 4;118(35):7375-84. doi: 10.1021/jp4123997. Epub 2014 Feb 6. J Phys Chem A. 2014. PMID: 24471443

9

Inorganic double-helix nanotoroid of simple lithium-phosphorus species.

Ivanov AS, Boldyrev AI, Frenking G. Ivanov AS, et al. Among authors: boldyrev ai. Chemistry. 2014 Feb 24;20(9):2431-5. doi: 10.1002/chem.201304566. Epub 2014 Feb 2. Chemistry. 2014. PMID: 24488764

10

All-nitrogen analogue of ozone: Li₃N₃ species.

Olson JK, Ivanov AS, Boldyrev AI. Olson JK, et al. Among authors: boldyrev ai. Chemistry. 2014 May 26;20(22):6636-40. doi: 10.1002/chem.201402572. Epub 2014 Apr 17. Chemistry. 2014. PMID: 24753295

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