Vayssilov GN - Search Results

1

CO coordination at XNi4 clusters with impurities X = H, C, O. A density functional study.

St Petkov P, Vayssilov GN, Krüger S, Rösch N. St Petkov P, et al. Among authors: vayssilov gn. J Phys Chem A. 2008 Sep 18;112(37):8523-8. doi: 10.1021/jp803348v. Epub 2008 Aug 21. J Phys Chem A. 2008. PMID: 18714970

2

A new interpretation of the IR bands of supported Rh(I) monocarbonyl complexes.

Vayssilov GN, Rösch N. Vayssilov GN, et al. J Am Chem Soc. 2002 Apr 10;124(14):3783-6. doi: 10.1021/ja011688y. J Am Chem Soc. 2002. PMID: 11929269

3

Oxidation of supported rhodium clusters by support hydroxy groups.

Vayssilov GN, Gates BC, Rösch N. Vayssilov GN, et al. Angew Chem Int Ed Engl. 2003 Mar 28;42(12):1391-4. doi: 10.1002/anie.200390357. Angew Chem Int Ed Engl. 2003. PMID: 12671977 No abstract available.

4

The cluster Ir4 and its interaction with a hydrogen impurity. A density functional study.

Bussai C, Krüger S, Vayssilov GN, Rösch N. Bussai C, et al. Among authors: vayssilov gn. Phys Chem Chem Phys. 2005 Jul 7;7(13):2656-63. doi: 10.1039/b505241f. Epub 2005 May 26. Phys Chem Chem Phys. 2005. PMID: 16189577

5

Comparison of all sites for Ti substitution in zeolite TS-1 by an accurate embedded-cluster method.

Deka RCh, Nasluzov VA, Ivanova Shor EA, Shor AM, Vayssilov GN, Rösch N. Deka RCh, et al. Among authors: vayssilov gn. J Phys Chem B. 2005 Dec 29;109(51):24304-10. doi: 10.1021/jp050056l. J Phys Chem B. 2005. PMID: 16375428

6

Structure, stability, electronic and magnetic properties of Ni4 clusters containing impurity atoms.

St Petkov P, Vayssilov GN, Krüger S, Rösch N. St Petkov P, et al. Among authors: vayssilov gn. Phys Chem Chem Phys. 2006 Mar 21;8(11):1282-91. doi: 10.1039/b518175e. Epub 2006 Feb 16. Phys Chem Chem Phys. 2006. PMID: 16633608

7

Influence of single impurity atoms on the structure, electronic, and magnetic properties of Ni5 clusters.

St Petkov P, Vayssilov GN, Krüger S, Rösch N. St Petkov P, et al. Among authors: vayssilov gn. J Phys Chem A. 2007 Mar 22;111(11):2067-76. doi: 10.1021/jp0675431. Epub 2007 Feb 28. J Phys Chem A. 2007. PMID: 17388298

8

Reverse hydrogen spillover in supported subnanosize clusters of the metals of groups 8 to 11. A computational model study.

Vayssilov GN, Rösch N. Vayssilov GN, et al. Phys Chem Chem Phys. 2005 Dec 7;7(23):4019-26. doi: 10.1039/b511842e. Phys Chem Chem Phys. 2005. PMID: 19810333

9

Redox behavior of small metal clusters with respect to hydrogen. The effect of the cluster charge from density functional results.

Petrova GP, Vayssilov GN, Rösch N. Petrova GP, et al. Among authors: vayssilov gn. Phys Chem Chem Phys. 2010 Sep 28;12(36):11015-20. doi: 10.1039/c004377j. Epub 2010 Jul 29. Phys Chem Chem Phys. 2010. PMID: 20668741

10

Density functional study of hydrogen bond formation between methanol and organic molecules containing Cl, F, NH2, OH, and COOH functional groups.

Kolev SK, St Petkov P, Rangelov MA, Vayssilov GN. Kolev SK, et al. Among authors: vayssilov gn. J Phys Chem A. 2011 Dec 8;115(48):14054-68. doi: 10.1021/jp204313f. Epub 2011 Nov 10. J Phys Chem A. 2011. PMID: 21992409

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