Stahn M - Search Results

1

Efficient Quantum Chemical Calculation of Structure Ensembles and Free Energies for Nonrigid Molecules.

Grimme S, Bohle F, Hansen A, Pracht P, Spicher S, Stahn M. Grimme S, et al. Among authors: stahn m. J Phys Chem A. 2021 May 20;125(19):4039-4054. doi: 10.1021/acs.jpca.1c00971. Epub 2021 Mar 10. J Phys Chem A. 2021. PMID: 33688730

2

Robust and Efficient Implicit Solvation Model for Fast Semiempirical Methods.

Ehlert S, Stahn M, Spicher S, Grimme S. Ehlert S, et al. Among authors: stahn m. J Chem Theory Comput. 2021 Jul 13;17(7):4250-4261. doi: 10.1021/acs.jctc.1c00471. Epub 2021 Jun 29. J Chem Theory Comput. 2021. PMID: 34185531

3

Quantum Chemical Calculation and Evaluation of Partition Coefficients for Classical and Emerging Environmentally Relevant Organic Compounds.

Salthammer T, Grimme S, Stahn M, Hohm U, Palm WU. Salthammer T, et al. Among authors: stahn m. Environ Sci Technol. 2022 Jan 4;56(1):379-391. doi: 10.1021/acs.est.1c06935. Epub 2021 Dec 21. Environ Sci Technol. 2022. PMID: 34931808

4

Quantum chemical calculation of the vapor pressure of volatile and semi volatile organic compounds.

Stahn M, Grimme S, Salthammer T, Hohm U, Palm WU. Stahn M, et al. Environ Sci Process Impacts. 2022 Nov 16;24(11):2153-2166. doi: 10.1039/d2em00271j. Environ Sci Process Impacts. 2022. PMID: 36222641

5

A kinetic study of the photolysis of sulfamethoxazole with special emphasis on the photoisomer.

Palm WU, Schmidt N, Stahn M, Grimme S. Palm WU, et al. Among authors: stahn m. Photochem Photobiol Sci. 2023 Mar;22(3):615-630. doi: 10.1007/s43630-022-00340-x. Epub 2022 Dec 6. Photochem Photobiol Sci. 2023. PMID: 36471235

6

Proton-transfer rate constants for the determination of organic indoor air pollutants by online mass spectrometry.

Salthammer T, Hohm U, Stahn M, Grimme S. Salthammer T, et al. Among authors: stahn m. RSC Adv. 2023 Jun 13;13(26):17856-17868. doi: 10.1039/d3ra01705b. eCollection 2023 Jun 9. RSC Adv. 2023. PMID: 37323443 Free PMC article.

7

Dispersion Energy-Stabilized Boron and Phosphorus Lewis Pairs.

Sieland B, Stahn M, Schoch R, Daniliuc C, Spicher S, Grimme S, Hansen A, Paradies J. Sieland B, et al. Among authors: stahn m. Angew Chem Int Ed Engl. 2023 Aug 28;62(35):e202308752. doi: 10.1002/anie.202308752. Epub 2023 Jul 19. Angew Chem Int Ed Engl. 2023. PMID: 37427718

8

Extended Conductor-like Polarizable Continuum Solvation Model (CPCM-X) for Semiempirical Methods.

Stahn M, Ehlert S, Grimme S. Stahn M, et al. J Phys Chem A. 2023 Aug 24;127(33):7036-7043. doi: 10.1021/acs.jpca.3c04382. Epub 2023 Aug 11. J Phys Chem A. 2023. PMID: 37567769

9

Improving Quantum Chemical Solvation Models by Dynamic Radii Adjustment for Continuum Solvation (DRACO).

Plett C, Stahn M, Bursch M, Mewes JM, Grimme S. Plett C, et al. Among authors: stahn m. J Phys Chem Lett. 2024 Mar 7;15(9):2462-2469. doi: 10.1021/acs.jpclett.3c03551. Epub 2024 Feb 26. J Phys Chem Lett. 2024. PMID: 38407047

10

Lagrangian coherent sets in turbulent Rayleigh-Bénard convection.

Schneide C, Stahn M, Pandey A, Junge O, Koltai P, Padberg-Gehle K, Schumacher J. Schneide C, et al. Among authors: stahn m. Phys Rev E. 2019 Nov;100(5-1):053103. doi: 10.1103/PhysRevE.100.053103. Phys Rev E. 2019. PMID: 31869930

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