Zuehlsdorff TJ - Search Results

1

Comparison of Linear Response Theory, Projected Initial Maximum Overlap Method, and Molecular Dynamics-Based Vibronic Spectra: The Case of Methylene Blue.

Abou Taka A, Lu SY, Gowland D, Zuehlsdorff TJ, Corzo HH, Pribram-Jones A, Shi L, Hratchian HP, Isborn CM. Abou Taka A, et al. Among authors: zuehlsdorff tj. J Chem Theory Comput. 2022 May 10;18(5):3039-3051. doi: 10.1021/acs.jctc.1c01127. Epub 2022 Apr 26. J Chem Theory Comput. 2022. PMID: 35472264

2

Combining the ensemble and Franck-Condon approaches for calculating spectral shapes of molecules in solution.

Zuehlsdorff TJ, Isborn CM. Zuehlsdorff TJ, et al. J Chem Phys. 2018 Jan 14;148(2):024110. doi: 10.1063/1.5006043. J Chem Phys. 2018. PMID: 29331131

3

Erratum: "Combining the ensemble and Franck-Condon approaches for calculating spectral shapes of molecules in solution" [J. Chem. Phys. 148, 024110 (2018)].

Zuehlsdorff TJ, Isborn CM. Zuehlsdorff TJ, et al. J Chem Phys. 2018 Feb 21;148(7):079901. doi: 10.1063/1.5024413. J Chem Phys. 2018. PMID: 29471645 No abstract available.

4

Unraveling electronic absorption spectra using nuclear quantum effects: Photoactive yellow protein and green fluorescent protein chromophores in water.

Zuehlsdorff TJ, Napoli JA, Milanese JM, Markland TE, Isborn CM. Zuehlsdorff TJ, et al. J Chem Phys. 2018 Jul 14;149(2):024107. doi: 10.1063/1.5025517. J Chem Phys. 2018. PMID: 30007372

5

Effect of Ions on the Optical Absorption Spectra of Aqueously Solvated Chromophores.

Shedge SV, Zuehlsdorff TJ, Servis MJ, Clark AE, Isborn CM. Shedge SV, et al. Among authors: zuehlsdorff tj. J Phys Chem A. 2019 Jul 25;123(29):6175-6184. doi: 10.1021/acs.jpca.9b03163. Epub 2019 Jul 17. J Phys Chem A. 2019. PMID: 31194554

6

Optical spectra in the condensed phase: Capturing anharmonic and vibronic features using dynamic and static approaches.

Zuehlsdorff TJ, Montoya-Castillo A, Napoli JA, Markland TE, Isborn CM. Zuehlsdorff TJ, et al. J Chem Phys. 2019 Aug 21;151(7):074111. doi: 10.1063/1.5114818. J Chem Phys. 2019. PMID: 31438704

7

Influence of Electronic Polarization on the Spectral Density.

Zuehlsdorff TJ, Hong H, Shi L, Isborn CM. Zuehlsdorff TJ, et al. J Phys Chem B. 2020 Jan 23;124(3):531-543. doi: 10.1021/acs.jpcb.9b10250. Epub 2020 Jan 13. J Phys Chem B. 2020. PMID: 31880454

8

Nonlinear spectroscopy in the condensed phase: The role of Duschinsky rotations and third order cumulant contributions.

Zuehlsdorff TJ, Hong H, Shi L, Isborn CM. Zuehlsdorff TJ, et al. J Chem Phys. 2020 Jul 28;153(4):044127. doi: 10.1063/5.0013739. J Chem Phys. 2020. PMID: 32752702

9

Exploiting Machine Learning to Efficiently Predict Multidimensional Optical Spectra in Complex Environments.

Chen MS, Zuehlsdorff TJ, Morawietz T, Isborn CM, Markland TE. Chen MS, et al. Among authors: zuehlsdorff tj. J Phys Chem Lett. 2020 Sep 17;11(18):7559-7568. doi: 10.1021/acs.jpclett.0c02168. Epub 2020 Aug 27. J Phys Chem Lett. 2020. PMID: 32808797

10

Vibronic and Environmental Effects in Simulations of Optical Spectroscopy.

Zuehlsdorff TJ, Shedge SV, Lu SY, Hong H, Aguirre VP, Shi L, Isborn CM. Zuehlsdorff TJ, et al. Annu Rev Phys Chem. 2021 Apr 20;72:165-188. doi: 10.1146/annurev-physchem-090419-051350. Epub 2021 Jan 4. Annu Rev Phys Chem. 2021. PMID: 33395546

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