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Carolin König
Carolin König
Leibniz Universität Hannover
Bestätigte E-Mail-Adresse bei pci.uni-hannover.de
Titel
Zitiert von
Zitiert von
Jahr
Quantum Chemical Description of Absorption Properties and Excited‐State Processes in Photosynthetic Systems
C König, J Neugebauer
ChemPhysChem 13 (2), 386-425, 2012
1352012
State-specific embedding potentials for excitation-energy calculations
C Daday, C König, O Valsson, J Neugebauer, C Filippi
Journal of chemical theory and computation 9 (5), 2355-2367, 2013
882013
First-principles calculation of electronic spectra of light-harvesting complex II
C König, J Neugebauer
Physical Chemistry Chemical Physics 13 (22), 10475-10490, 2011
762011
Wavefunction in density functional theory embedding for excited states: Which wavefunctions, which densities?
C Daday, C König, J Neugebauer, C Filippi
ChemPhysChem 15 (15), 3205-3217, 2014
702014
Wavefunction in density functional theory embedding for excited states: Which wavefunctions, which densities?
C Daday, C König, J Neugebauer, C Filippi
ChemPhysChem 15 (15), 3205-3217, 2014
702014
Protein effects on the optical spectrum of the Fenna–Matthews–Olson complex from fully quantum chemical calculations
C König, J Neugebauer
Journal of chemical theory and computation 9 (3), 1808-1820, 2013
632013
Linear-scaling generation of potential energy surfaces using a double incremental expansion
C König, O Christiansen
The Journal of Chemical Physics 145, 064105, 2016
502016
Hybrid Optimized and Localized Vibrational Coordinates
EL Klinting, C König, O Christiansen
The Journal of Physical Chemistry A 119 (44), 11007-11021, 2015
462015
Direct determination of exciton couplings from subsystem time-dependent density-functional theory within the Tamm–Dancoff approximation
C König, N Schlüter, J Neugebauer
The Journal of Chemical Physics 138 (3), 2013
432013
FALCON: A method for flexible adaptation of local coordinates of nuclei
C König, MB Hansen, IH Godtliebsen, O Christiansen
The Journal of chemical physics 144 (7), 074108, 2016
352016
Automatic determination of important mode–mode correlations in many-mode vibrational wave functions
C König, O Christiansen
The Journal of Chemical Physics 142 (14), 2015
342015
Mono‐and Dinuclear NiII and CoII Complexes that Feature Chelating Guanidine Ligands: Structural Characteristics and Molecular Magnetism
P Roquette, C König, O Hübner, A Wagner, E Kaifer, M Enders, ...
European Journal of Inorganic Chemistry 2010 (30), 4770-4782, 2010
312010
Syntheses of the First Coordination Compounds of the New Strong Molecular Electron Donor and Double Proton Sponge 1, 4, 5, 8‐Tetrakis (tetramethylguanidino) naphthalene
V Vitske, C König, O Hübner, E Kaifer, HJ Himmel
European Journal of Inorganic Chemistry 2010 (1), 115-126, 2010
312010
VIA-MD: visual interactive analysis of molecular dynamics
R Skånberg, C König, P Norman, M Linares, D Jönsson, I Hotz, ...
Proceedings of the Workshop on Molecular Graphics and Visual Analysis of …, 2018
302018
Binding sites for luminescent amyloid biomarkers from non-biased molecular dynamics simulations
C König, R Skånberg, I Hotz, A Ynnerman, P Norman, M Linares
Chemical Communications 54 (24), 3030-3033, 2018
282018
Anharmonic vibrational spectra from double incremental potential energy and dipole surfaces
D Madsen, O Christiansen, C König
Physical Chemistry Chemical Physics 20 (5), 3445-3456, 2018
222018
Exciton Coupling Mechanisms Analyzed with Subsystem TDDFT: Direct vs Pseudo Exchange Effects
C König, J Neugebauer
The Journal of Physical Chemistry B 117 (13), 3480-3487, 2013
212013
Vibrationally resolved emission spectra of luminescent conjugated oligothiophenes from anharmonic calculations
D Madsen, O Christiansen, P Norman, C König
Physical Chemistry Chemical Physics 21 (31), 17410-17422, 2019
172019
MidasCpp (molecular interactions, dynamics and simulation chemistry program package in C++)
O Christiansen, IH Godtliebsen, EM Gras, W Győrffy, MB Hansen, ...
University of Aarhus, www. chem. au. dk/midas, 2016
172016
Tau Protein Binding Modes in Alzheimer’s Disease for Cationic Luminescent Ligands
Y Todarwal, C Gustafsson, NN Thi Minh, I Ertzgaard, T Klingstedt, B Ghetti, ...
The Journal of Physical Chemistry B 125 (42), 11628-11636, 2021
162021
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