Bagus PS - Search Results

1

Chemical information from XPS: Theory and experiment for Ni(OH)2.

Bagus PS, Nelin CJ, Mergelsberg ST, Lahiri N, Ilton ES. Bagus PS, et al. J Chem Phys. 2024 Oct 28;161(16):164701. doi: 10.1063/5.0229962. J Chem Phys. 2024. PMID: 39435834

2

The adsorption of cyclopropane and cyclohexane on Cu(111): an experimental and theoretical investigation on the nature of the CH-metal interaction.

Fosser KA, Nuzzo RG, Bagus PS, Wöll C. Fosser KA, et al. Among authors: bagus ps. Angew Chem Int Ed Engl. 2002 May 17;41(10):1735-7. doi: 10.1002/1521-3773(20020517)41:10<1735::aid-anie1735>3.0.co;2-g. Angew Chem Int Ed Engl. 2002. PMID: 19750699 No abstract available.

3

Size effects in electronic and catalytic properties of unsupported palladium nanoparticles in electrooxidation of formic acid.

Zhou WP, Lewera A, Larsen R, Masel RI, Bagus PS, Wieckowski A. Zhou WP, et al. Among authors: bagus ps. J Phys Chem B. 2006 Jul 13;110(27):13393-8. doi: 10.1021/jp061690h. J Phys Chem B. 2006. PMID: 16821860

4

Analysis of the broadening of X-ray photoelectron spectroscopy peaks for ionic crystals.

Nelin CJ, Bagus PS, Brown MA, Sterrer M, Freund HJ. Nelin CJ, et al. Among authors: bagus ps. Angew Chem Int Ed Engl. 2011 Oct 17;50(43):10174-7. doi: 10.1002/anie.201100964. Epub 2011 Jun 20. Angew Chem Int Ed Engl. 2011. PMID: 21692154 No abstract available.

5

Theoretical modeling of the uranium 4f XPS for U(VI) and U(IV) oxides.

Bagus PS, Nelin CJ, Ilton ES. Bagus PS, et al. J Chem Phys. 2013 Dec 28;139(24):244704. doi: 10.1063/1.4846135. J Chem Phys. 2013. PMID: 24387385

6

Surface core-level binding energy shifts for MgO(100).

Nelin CJ, Uhl F, Staemmler V, Bagus PS, Fujimori Y, Sterrer M, Kuhlenbeck H, Freund HJ. Nelin CJ, et al. Among authors: bagus ps. Phys Chem Chem Phys. 2014 Oct 28;16(40):21953-6. doi: 10.1039/c4cp03369h. Epub 2014 Sep 12. Phys Chem Chem Phys. 2014. PMID: 25212984

7

A poly-epoxy surface explored by Hartree-Fock ΔSCF simulations of C1s XPS spectra.

Gavrielides A, Duguet T, Esvan J, Lacaze-Dufaure C, Bagus PS. Gavrielides A, et al. Among authors: bagus ps. J Chem Phys. 2016 Aug 21;145(7):074703. doi: 10.1063/1.4960762. J Chem Phys. 2016. PMID: 27544119

8

Consequences of electron correlation for XPS binding energies: Representative case for C(1s) and O(1s) XPS of CO.

Bagus PS, Sousa C, Illas F. Bagus PS, et al. J Chem Phys. 2016 Oct 14;145(14):144303. doi: 10.1063/1.4964320. J Chem Phys. 2016. PMID: 27782526

9

The effect of symmetry on the U L₃ NEXAFS of octahedral coordinated uranium(vi).

Bagus PS, Nelin CJ, Ilton ES. Bagus PS, et al. J Chem Phys. 2017 Mar 21;146(11):114703. doi: 10.1063/1.4978481. J Chem Phys. 2017. PMID: 28330357

10

Covalent bonding in heavy metal oxides.

Bagus PS, Nelin CJ, Hrovat DA, Ilton ES. Bagus PS, et al. J Chem Phys. 2017 Apr 7;146(13):134706. doi: 10.1063/1.4979018. J Chem Phys. 2017. PMID: 28390370

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