Grell G - Search Results

1

Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling.

Grell G, Bokarev SI, Winter B, Seidel R, Aziz EF, Aziz SG, Kühn O. Grell G, et al. J Chem Phys. 2015 Aug 21;143(7):074104. doi: 10.1063/1.4928511. J Chem Phys. 2015. PMID: 26298112

2

Tuned Range-Separated Density Functional Theory and Dyson Orbital Formalism for Photoelectron Spectra.

Möhle T, Bokareva OS, Grell G, Kühn O, Bokarev SI. Möhle T, et al. Among authors: grell g. J Chem Theory Comput. 2018 Nov 13;14(11):5870-5880. doi: 10.1021/acs.jctc.8b00707. Epub 2018 Oct 15. J Chem Theory Comput. 2018. PMID: 30240212 Free article.

3

Erratum: "Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling" [J. Chem. Phys. 143, 074104 (2015)].

Grell G, Bokarev SI, Winter B, Seidel R, Aziz EF, Aziz SG, Kühn O. Grell G, et al. J Chem Phys. 2016 Aug 28;145(8):089901. doi: 10.1063/1.4961314. J Chem Phys. 2016. PMID: 27586955 No abstract available.

4

Ultrafast Spin Crossover in [Fe^II (bpy)₃ ]²⁺ : Revealing Two Competing Mechanisms by Extreme Ultraviolet Photoemission Spectroscopy.

Moguilevski A, Wilke M, Grell G, Bokarev SI, Aziz SG, Engel N, Raheem AA, Kühn O, Kiyan IY, Aziz EF. Moguilevski A, et al. Among authors: grell g. Chemphyschem. 2017 Mar 3;18(5):465-469. doi: 10.1002/cphc.201601396. Epub 2017 Jan 19. Chemphyschem. 2017. PMID: 28004874

5

Light-induced relaxation dynamics of the ferricyanide ion revisited by ultrafast XUV photoelectron spectroscopy.

Engel N, Bokarev SI, Moguilevski A, Raheem AA, Al-Obaidi R, Möhle T, Grell G, Siefermann KR, Abel B, Aziz SG, Kühn O, Borgwardt M, Kiyan IY, Aziz EF. Engel N, et al. Among authors: grell g. Phys Chem Chem Phys. 2017 Jun 7;19(22):14248-14255. doi: 10.1039/c7cp01288h. Phys Chem Chem Phys. 2017. PMID: 28534587

6

Multi-reference protocol for (auto)ionization spectra: Application to molecules.

Grell G, Bokarev SI. Grell G, et al. J Chem Phys. 2020 Feb 21;152(7):074108. doi: 10.1063/1.5142251. J Chem Phys. 2020. PMID: 32087635

7

Tuning Range-Separated Density Functional Theory for Photocatalytic Water Splitting Systems.

Bokareva OS, Grell G, Bokarev SI, Kühn O. Bokareva OS, et al. Among authors: grell g. J Chem Theory Comput. 2015 Apr 14;11(4):1700-9. doi: 10.1021/acs.jctc.5b00068. J Chem Theory Comput. 2015. PMID: 26574380

8

Joint Analysis of Radiative and Non-Radiative Electronic Relaxation Upon X-ray Irradiation of Transition Metal Aqueous Solutions.

Golnak R, Bokarev SI, Seidel R, Xiao J, Grell G, Atak K, Unger I, Thürmer S, Aziz SG, Kühn O, Winter B, Aziz EF. Golnak R, et al. Among authors: grell g. Sci Rep. 2016 Apr 21;6:24659. doi: 10.1038/srep24659. Sci Rep. 2016. PMID: 27098342 Free PMC article.

9

Ultrafast kinetics of linkage isomerism in Na₂[Fe(CN)₅NO] aqueous solution revealed by time-resolved photoelectron spectroscopy.

Raheem AA, Wilke M, Borgwardt M, Engel N, Bokarev SI, Grell G, Aziz SG, Kühn O, Kiyan IY, Merschjann C, Aziz EF. Raheem AA, et al. Among authors: grell g. Struct Dyn. 2017 Jun 28;4(4):044031. doi: 10.1063/1.4990567. eCollection 2017 Jul. Struct Dyn. 2017. PMID: 28713840 Free PMC article.

10

Photoelectron shake-ups as a probe of molecular symmetry: 4d XPS analysis of I₃^- in solution.

Norell J , Grell G , Kühn O , Odelius M , Bokarev SI . Norell J , et al. Among authors: grell g. Phys Chem Chem Phys. 2018 Aug 1;20(30):19916-19921. doi: 10.1039/c8cp02530d. Phys Chem Chem Phys. 2018. PMID: 30020286

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 Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

73 results

Search Page

Filters