Plasser F - Search Results

1

Multireference Averaged Quadratic Coupled Cluster (MR-AQCC) Study of the Geometries and Energies for ortho-, meta- and para-Benzyne.

Vu K, Pandian J, Zhang B, Annas C, Parker AJ, Mancini JS, Wang EB, Saldana-Greco D, Nelson ES, Springsted G, Lischka H, Plasser F, Parish CA. Vu K, et al. Among authors: plasser f. J Phys Chem A. 2024 Sep 19;128(37):7816-7829. doi: 10.1021/acs.jpca.4c04099. Epub 2024 Sep 6. J Phys Chem A. 2024. PMID: 39240216 Free PMC article.

2

New tools for the systematic analysis and visualization of electronic excitations. I. Formalism.

Plasser F, Wormit M, Dreuw A. Plasser F, et al. J Chem Phys. 2014 Jul 14;141(2):024106. doi: 10.1063/1.4885819. J Chem Phys. 2014. PMID: 25027998

3

Communication: Exciton analysis in time-dependent density functional theory: How functionals shape excited-state characters.

Mewes SA, Plasser F, Dreuw A. Mewes SA, et al. Among authors: plasser f. J Chem Phys. 2015 Nov 7;143(17):171101. doi: 10.1063/1.4935178. J Chem Phys. 2015. PMID: 26547149

4

Nonadiabatic Dynamics of Cycloparaphenylenes with TD-DFTB Surface Hopping.

Stojanović L, Aziz SG, Hilal RH, Plasser F, Niehaus TA, Barbatti M. Stojanović L, et al. Among authors: plasser f. J Chem Theory Comput. 2017 Dec 12;13(12):5846-5860. doi: 10.1021/acs.jctc.7b01000. Epub 2017 Dec 1. J Chem Theory Comput. 2017. PMID: 29140693

5

Electronic delocalization, charge transfer and hypochromism in the UV absorption spectrum of polyadenine unravelled by multiscale computations and quantitative wavefunction analysis.

Nogueira JJ, Plasser F, González L. Nogueira JJ, et al. Among authors: plasser f. Chem Sci. 2017 Aug 1;8(8):5682-5691. doi: 10.1039/c7sc01600j. Epub 2017 Jun 13. Chem Sci. 2017. PMID: 28989607 Free PMC article.

6

Statistical analysis of electronic excitation processes: Spatial location, compactness, charge transfer, and electron-hole correlation.

Plasser F, Thomitzni B, Bäppler SA, Wenzel J, Rehn DR, Wormit M, Dreuw A. Plasser F, et al. J Comput Chem. 2015 Aug 5;36(21):1609-20. doi: 10.1002/jcc.23975. Epub 2015 Jun 29. J Comput Chem. 2015. PMID: 26119286

7

Exciton size and binding energy limitations in one-dimensional organic materials.

Kraner S, Scholz R, Plasser F, Koerner C, Leo K. Kraner S, et al. Among authors: plasser f. J Chem Phys. 2015 Dec 28;143(24):244905. doi: 10.1063/1.4938527. J Chem Phys. 2015. PMID: 26723709

8

New tools for the systematic analysis and visualization of electronic excitations. II. Applications.

Plasser F, Bäppler SA, Wormit M, Dreuw A. Plasser F, et al. J Chem Phys. 2014 Jul 14;141(2):024107. doi: 10.1063/1.4885820. J Chem Phys. 2014. PMID: 25027999

9

Excited-state diproton transfer in [2,2'-bipyridyl]-3,3'-diol: the mechanism is sequential, not concerted.

Plasser F, Barbatti M, Aquino AJ, Lischka H. Plasser F, et al. J Phys Chem A. 2009 Jul 30;113(30):8490-9. doi: 10.1021/jp9032172. J Phys Chem A. 2009. PMID: 19572684

10

Semiclassical dynamics simulations of charge transport in stacked π-systems.

Plasser F, Lischka H. Plasser F, et al. J Chem Phys. 2011 Jan 21;134(3):034309. doi: 10.1063/1.3526697. J Chem Phys. 2011. PMID: 21261355

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