Golub P - Search Results

1

Metavalent or Hypervalent Bonding: Is There a Chance for Reconciliation?

Wuttig M, Schön CF, Kim D, Golub P, Gatti C, Raty JY, Kooi BJ, Pendás ÁM, Arora R, Waghmare U. Wuttig M, et al. Among authors: golub p. Adv Sci (Weinh). 2024 Feb;11(6):e2308578. doi: 10.1002/advs.202308578. Epub 2023 Dec 7. Adv Sci (Weinh). 2024. PMID: 38059800 Free PMC article.

2

Revisiting the Nature of Chemical Bonding in Chalcogenides to Explain and Design their Properties.

Wuttig M, Schön CF, Lötfering J, Golub P, Gatti C, Raty JY. Wuttig M, et al. Among authors: golub p. Adv Mater. 2023 May;35(20):e2208485. doi: 10.1002/adma.202208485. Epub 2023 Mar 26. Adv Mater. 2023. PMID: 36456187 Free article. Review.

3

Role of Spin Polarization and Dynamic Correlation in Singlet-Triplet Gap Inversion of Heptazine Derivatives.

Drwal D, Matousek M, Golub P, Tucholska A, Hapka M, Brabec J, Veis L, Pernal K. Drwal D, et al. Among authors: golub p. J Chem Theory Comput. 2023 Nov 14;19(21):7606-7616. doi: 10.1021/acs.jctc.3c00781. Epub 2023 Oct 21. J Chem Theory Comput. 2023. PMID: 37864544 Free PMC article.

4

Importance of Electron Correlation on the Geometry and Electronic Structure of [2Fe-2S] Systems: A Benchmark Study of the [Fe₂S₂(SCH₃)₄]^2-,3-,4-, [Fe₂S₂(SCys)₄]^2-, [Fe₂S₂(S-p-tol)₄]^2-, and [Fe₂S₂(S-o-xyl)₄]^2- Complexes.

Tzeli D, Golub P, Brabec J, Matoušek M, Pernal K, Veis L, Raugei S, Xantheas SS. Tzeli D, et al. Among authors: golub p. J Chem Theory Comput. 2024 Dec 10;20(23):10406-10423. doi: 10.1021/acs.jctc.4c00781. Epub 2024 Nov 19. J Chem Theory Comput. 2024. PMID: 39561296

5

Machine Learning-Assisted Selection of Active Spaces for Strongly Correlated Transition Metal Systems.

Golub P, Antalik A, Veis L, Brabec J. Golub P, et al. J Chem Theory Comput. 2021 Oct 12;17(10):6053-6072. doi: 10.1021/acs.jctc.1c00235. Epub 2021 Sep 27. J Chem Theory Comput. 2021. PMID: 34570505

6

Polymer Retention Determination in Porous Media for Polymer Flooding in Unconsolidated Reservoir.

Ilyasov I, Koltsov I, Golub P, Tretyakov N, Cheban A, Thomas A. Ilyasov I, et al. Among authors: golub p. Polymers (Basel). 2021 Aug 16;13(16):2737. doi: 10.3390/polym13162737. Polymers (Basel). 2021. PMID: 34451278 Free PMC article.

7

On-Surface Synthesis and Characterization of [7]Triangulene Quantum Ring.

Su J, Fan W, Mutombo P, Peng X, Song S, Ondráček M, Golub P, Brabec J, Veis L, Telychko M, Jelínek P, Wu J, Lu J. Su J, et al. Among authors: golub p. Nano Lett. 2021 Jan 13;21(1):861-867. doi: 10.1021/acs.nanolett.0c04627. Epub 2020 Dec 11. Nano Lett. 2021. PMID: 33305570

8

Discovering Electron-Transfer-Driven Changes in Chemical Bonding in Lead Chalcogenides (PbX, where X = Te, Se, S, O).

Maier S, Steinberg S, Cheng Y, Schön CF, Schumacher M, Mazzarello R, Golub P, Nelson R, Cojocaru-Mirédin O, Raty JY, Wuttig M. Maier S, et al. Among authors: golub p. Adv Mater. 2020 Dec;32(49):e2005533. doi: 10.1002/adma.202005533. Epub 2020 Nov 2. Adv Mater. 2020. PMID: 33135228 Free article.

9

Data-driven kinetic energy density fitting for orbital-free DFT: Linear vs Gaussian process regression.

Manzhos S, Golub P. Manzhos S, et al. Among authors: golub p. J Chem Phys. 2020 Aug 21;153(7):074104. doi: 10.1063/5.0015042. J Chem Phys. 2020. PMID: 32828090

10

Reply to the 'Comment on "Revisiting π backbonding: the influence of d orbitals on metal-CO bonds and ligand red shifts"' by G. Frenking and S. Pan, Phys. Chem. Chem. Phys., 2019, 22, DOI: 10.1039/C9CP05951B.

Koch D, Chen Y, Golub P, Manzhos S. Koch D, et al. Among authors: golub p. Phys Chem Chem Phys. 2020 Mar 4;22(9):5380-5382. doi: 10.1039/c9cp06927e. Phys Chem Chem Phys. 2020. PMID: 34661588

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

18 results

Search Page

Filters