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Felix Plasser
Felix's public data
FILE UNDER EMBARGO
Multi-tier electronic structure analysis of Sita's Mo and W complexes capable of thermal or photochemical N2 splitting
Severine Rupp
2020-03-06T08:54:28Z
Exploring the excited state character of nitroarylcarbazole derivatives using wavefunction analysis
Patrick Kimber
2020-03-02T09:21:41Z
FILE UNDER EMBARGO
Toward an understanding of electronic excitation energies beyond the molecular orbital picture
Patrick Kimber
2020-02-28T15:30:17Z
TheoDORE: a toolbox for a detailed and automated analysis of electronic excited state computations
Felix Plasser
2020-02-06T13:17:38Z
Exploring the excited state character of nitroarylcarbazole derivatives using wavefunction analysis
Patrick Kimber
2020-01-22T13:15:32Z
dataset
Research Data for "Toward an Understanding of Electronic Excitation Energies Beyond the Molecular Orbital Picture"
Patrick Kimber
2020-01-09T09:41:23Z
dataset
Research Data for "TheoDORE: a Toolbox for a Detailed and Automated Analysis of Electronic Excited State Computations"
Felix Plasser
2019-12-19T09:03:17Z
FILE UNDER EMBARGO
OpenMolcas: From source code to insight
Ignacio Fernández Galván
2019-09-20T10:32:46Z
collection
Collection
Research Data for Strong Influence of Decoherence Corrections and Momentum Rescaling in Surface Hopping Dynamics of Transition Metal Complexes
Felix Plasser
2019-08-09T11:14:35Z
FILE UNDER EMBARGO
Strong influence of decoherence corrections and momentum rescaling in surface hopping dynamics of transition metal complexes
Felix Plasser
2019-08-05T12:47:56Z
dataset
Dynamics: all states, all modes
Felix Plasser
2019-07-18T10:35:04Z
dataset
Dynamics: Triplet, 15 modes
Felix Plasser
2019-07-18T10:34:45Z
dataset
Dynamics: 1MLCT/3IL, 15 modes
Felix Plasser
2019-07-18T10:34:24Z
dataset
Dynamics: Singlet MLCT, 15 modes
Felix Plasser
2019-07-18T10:34:06Z
dataset
Dynamics: all states, 15 modes
Felix Plasser
2019-07-18T10:33:42Z
CONFIDENTIAL FILE
Effect of symmetric and asymmetric substitution on the optoelectronic properties of 9,10-dicyanoanthracene
Florian Glocklhofer
2019-06-21T07:47:42Z
CONFIDENTIAL FILE
Red-shifted delayed fluorescence at the expense of photoluminescence quantum efficiency ‒ an intramolecular charge-transfer molecule based on a benzodithiophene-4,8-dione acceptor
Stephanie Montanaro
2019-05-20T13:59:33Z
dataset
Wigner distribution all modes
Felix Plasser
2019-05-20T12:31:59Z
dataset
Wigner distribution, 15 modes
Felix Plasser
2019-05-20T12:31:12Z
CONFIDENTIAL FILE
The influence of the electronic structure method on intersystem crossing dynamics. The case of thioformaldehyde
Sebastian Mai
2019-05-17T13:35:02Z
Visualisation of electronic excited-state correlation in real space
Felix Plasser
2019-03-12T12:27:37Z
Dynamics of benzene excimer formation from the parallel-displaced dimer
Thiago M. Cardozo
2019-01-09T14:49:47Z
Surface hopping within an exciton picture. An electrostatic embedding scheme
Maximilian F.S.J. Menger
2018-12-07T15:13:45Z
Wavelength-optimized two-photon polymerization using initiators based on multipolar aminostyryl-1,3,5-triazines
Maximilian Tromayer
2018-12-04T14:14:10Z
Highly efficient surface hopping dynamics using a linear vibronic coupling model.
Felix Plasser
2018-11-12T12:28:35Z
Quantitative wave function analysis for excited states of transition metal complexes
Sebastian Mai
2018-08-02T09:08:53Z
Multireference approaches for excited states of molecules
Hans Lischka
2018-08-02T08:56:46Z
Interstate vibronic coupling constants between electronic excited states for complex molecules
Maria Fumanal
2018-04-04T13:36:59Z
Color fine-tuning of optical materials through rational design
Brigitte Holzer
2018-03-16T14:09:32Z
Ultrafast electronic energy transfer in an orthogonal molecular dyad
Christian Wiebeler
2018-03-16T13:52:58Z
Nonadiabatic dynamics of cycloparaphenylenes with TD-DFTB surface hopping
Ljiljana Stojanovic
2018-03-16T13:41:02Z
Universal exciton size in organic polymers is determined by nonlocal orbital exchange in time-dependent density functional theory
Stefanie A. Mewes
2018-03-16T13:25:34Z
Uv absorption inmetal decorated boron nitride flakes: A theoretical analysis of excited states
Siddheshwar Chopra
2018-03-16T11:21:46Z
Local electron correlation treatment in extended multireference calculations: Effect of acceptor-donor substituents on the biradical character of the polycyclic aromatic hydrocarbon heptazethrene
Anita Das
2018-03-16T10:56:54Z
Benchmarking excited-state calculations using exciton properties
Stefanie A. Mewes
2018-03-16T10:39:57Z
Detailed wave function analysis for multireference methods: Implementation in the molcas program package and applications to tetracene
Felix Plasser
2018-03-16T10:03:55Z
Communication: Unambiguous comparison of many-electron wavefunctions through their overlaps
Felix Plasser
2018-03-08T12:51:34Z
Electronic delocalization, charge transfer and hypochromism in the UV absorption spectrum of polyadenine unravelled by multiscale computations and quantitative wavefunction analysis
Juan J. Nogueira
2018-03-06T11:42:51Z
Surface hopping dynamics including intersystem crossing using the algebraic diagrammatic construction method
Sebastian Mai
2018-03-06T11:35:35Z
Evaluation of the quasi correlated tight-binding (QCTB) model for describing polyradical character in polycyclic hydrocarbons
Anatoliy V. Luzanov
2018-03-06T11:22:44Z
