Müller C - Search Results

1

Thermomechanical properties of zero thermal expansion materials from theory and experiments.

Erlebach A , Thieme C , Müller C , Hoffmann S , Höche T , Rüssel C , Sierka M . Erlebach A , et al. Among authors: muller c. Phys Chem Chem Phys. 2020 Sep 7;22(33):18518-18525. doi: 10.1039/d0cp02975k. Epub 2020 Aug 11. Phys Chem Chem Phys. 2020. PMID: 32780039

2

Real-time time-dependent density functional theory using density fitting and the continuous fast multipole method.

Müller C, Sharma M, Sierka M. Müller C, et al. J Comput Chem. 2020 Nov 15;41(30):2573-2582. doi: 10.1002/jcc.26412. Epub 2020 Sep 10. J Comput Chem. 2020. PMID: 33464600

3

Dimethylaniline functionalised pyrene fluorophores; dual colour pH switching in solution and self-assembled monolayers.

O'Connor D, Müller C, Sarangi NK, Byrne A, Keyes TE. O'Connor D, et al. Among authors: muller c. Phys Chem Chem Phys. 2019 Oct 28;21(40):22440-22448. doi: 10.1039/c9cp04948g. Epub 2019 Oct 3. Phys Chem Chem Phys. 2019. PMID: 31580345

4

Role of MLCT States in the Franck-Condon Region of Neutral, Heteroleptic Cu(I)-4H-imidazolate Complexes: A Spectroscopic and Theoretical Study.

Müller C, Schulz M, Obst M, Zedler L, Gräfe S, Kupfer S, Dietzek B. Müller C, et al. J Phys Chem A. 2020 Aug 20;124(33):6607-6616. doi: 10.1021/acs.jpca.0c04351. Epub 2020 Aug 11. J Phys Chem A. 2020. PMID: 32701275

5

The electron that breaks the catalyst's back - excited state dynamics in intermediates of molecular photocatalysts.

Müller C, Friedländer I, Bagemihl B, Rau S, Dietzek-Ivanšić B. Müller C, et al. Phys Chem Chem Phys. 2021 Dec 15;23(48):27397-27403. doi: 10.1039/d1cp04498b. Phys Chem Chem Phys. 2021. PMID: 34859807

6

Data-driven tailoring of molecular dipole polarizability and frontier orbital energies in chemical compound space.

Góger S, Sandonas LM, Müller C, Tkatchenko A. Góger S, et al. Among authors: muller c. Phys Chem Chem Phys. 2023 Aug 23;25(33):22211-22222. doi: 10.1039/d3cp02256k. Phys Chem Chem Phys. 2023. PMID: 37566426 Free PMC article.

7

Kinetic-Model-Free Analysis of Transient Absorption Spectra Enabled by 2D Correlation Analysis.

Hniopek J, Müller C, Bocklitz T, Schmitt M, Dietzek B, Popp J. Hniopek J, et al. Among authors: muller c. J Phys Chem Lett. 2021 May 6;12(17):4148-4153. doi: 10.1021/acs.jpclett.1c00835. Epub 2021 Apr 23. J Phys Chem Lett. 2021. PMID: 33890789

8

Influence of the Protonation State on the Excited-State Dynamics of Ruthenium(II) Complexes with Imidazole π-Extended Dipyridophenazine Ligands.

Müller C, Isakov D, Rau S, Dietzek B. Müller C, et al. J Phys Chem A. 2021 Jul 15;125(27):5911-5921. doi: 10.1021/acs.jpca.1c03856. Epub 2021 Jun 30. J Phys Chem A. 2021. PMID: 34190563

9

Modulating the Excited-State Decay Pathways of Cu(I) 4H-Imidazolate Complexes by Excitation Wavelength and Ligand Backbone.

Seidler B, Sittig M, Zens C, Tran JH, Müller C, Zhang Y, Schneider KRA, Görls H, Schubert A, Gräfe S, Schulz M, Dietzek B. Seidler B, et al. Among authors: muller c. J Phys Chem B. 2021 Oct 21;125(41):11498-11511. doi: 10.1021/acs.jpcb.1c06902. Epub 2021 Oct 7. J Phys Chem B. 2021. PMID: 34617757

10

KiMoPack: A python Package for Kinetic Modeling of the Chemical Mechanism.

Müller C, Pascher T, Eriksson A, Chabera P, Uhlig J. Müller C, et al. J Phys Chem A. 2022 Jun 30;126(25):4087-4099. doi: 10.1021/acs.jpca.2c00907. Epub 2022 Jun 14. J Phys Chem A. 2022. PMID: 35700393 Free PMC article.

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