Bagus P - Search Results

1

Theoretical Prediction of Core-Level Binding Energies: Analysis of Unexpected Errors.

Sousa C, Bagus PS, Illas F. Sousa C, et al. Among authors: bagus ps. J Phys Chem A. 2024 Feb 8;128(5):895-901. doi: 10.1021/acs.jpca.3c07567. Epub 2024 Jan 25. J Phys Chem A. 2024. PMID: 38271996 Free PMC article.

2

Electronic Structure of Actinyls: Orbital Properties.

Bagus PS, Nelin CJ, Rosso KM, Schacherl B, Vitova T. Bagus PS, et al. Inorg Chem. 2024 Jan 29;63(4):1793-1802. doi: 10.1021/acs.inorgchem.3c03158. Epub 2024 Jan 17. Inorg Chem. 2024. PMID: 38232379

3

Vanadium oxide, vanadium oxynitride, and cobalt oxynitride as electrocatalysts for the nitrogen reduction reaction: a review of recent developments.

Balogun K, Ganesan A, Chukwunenye P, Gharaee M, Adesope Q, Nemšák S, Bagus PS, Cundari TR, D'Souza F, Kelber JA. Balogun K, et al. Among authors: bagus ps. J Phys Condens Matter. 2023 May 22;35(33). doi: 10.1088/1361-648X/acd49d. J Phys Condens Matter. 2023. PMID: 37168004 Review.

4

Main and Satellite Features in the Ni 2p XPS of NiO.

Bagus PS, Nelin CJ, Brundle CR, Crist BV, Ilton ES, Lahiri N, Rosso KM. Bagus PS, et al. Inorg Chem. 2022 Nov 14;61(45):18077-18094. doi: 10.1021/acs.inorgchem.2c02549. Epub 2022 Nov 2. Inorg Chem. 2022. PMID: 36321847

5

Interaction of molecular nitrogen with vanadium oxide in the absence and presence of water vapor at room temperature: Near-ambient pressure XPS.

Balogun K, Chukwunenye P, Anwar F, Ganesan A, Adesope Q, Willadsen D, Nemšák S, Cundari TR, Bagus PS, D'Souza F, Kelber JA. Balogun K, et al. Among authors: bagus ps. J Chem Phys. 2022 Sep 14;157(10):104701. doi: 10.1063/5.0107678. J Chem Phys. 2022. PMID: 36109231

6

Preface to special issue on advances in quantum chemistry.

André JM, Bagus PS, Dupuis M. André JM, et al. Among authors: bagus ps. J Phys Condens Matter. 2022 Sep 5;34(44). doi: 10.1088/1361-648X/ac8d41. J Phys Condens Matter. 2022. PMID: 36027874 No abstract available.

7

Origin of the complex main and satellite features in Fe 2p XPS of Fe₂O₃.

Bagus PS, Nelin CJ, Brundle CR, Crist BV, Lahiri N, Rosso KM. Bagus PS, et al. Phys Chem Chem Phys. 2022 Feb 16;24(7):4562-4575. doi: 10.1039/d1cp04886d. Phys Chem Chem Phys. 2022. PMID: 35129561

8

XPS binding energy shifts as a function of bond distances: a case study of CO.

Bagus PS, Sousa C, Illas F. Bagus PS, et al. J Phys Condens Matter. 2022 Feb 8;34(15). doi: 10.1088/1361-648X/ac4dc0. J Phys Condens Matter. 2022. PMID: 35062013

9

Computational and Spectroscopic Tools for the Detection of Bond Covalency in Pu(IV) Materials.

Bagus PS, Schacherl B, Vitova T. Bagus PS, et al. Inorg Chem. 2021 Nov 1;60(21):16090-16102. doi: 10.1021/acs.inorgchem.1c01331. Epub 2021 Oct 11. Inorg Chem. 2021. PMID: 34634201 Free PMC article.

10

Combined multiplet theory and experiment for the Fe 2p and 3p XPS of FeO and Fe₂O₃.

Bagus PS, Nelin CJ, Brundle CR, Crist BV, Lahiri N, Rosso KM. Bagus PS, et al. J Chem Phys. 2021 Mar 7;154(9):094709. doi: 10.1063/5.0039765. J Chem Phys. 2021. PMID: 33685168

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

66 results

Search Page