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Self-Consistent Optimization of Excited States within Density-Functional Tight-Binding
Online Contents | 2016| -
Excitation energies and Stokes shifts from a restricted open-shell Kohn-Sham approach
Online Contents | 2013| -
Acene-linked covalent organic frameworks as candidate materials for singlet fission
National licenceRoyal Society of Chemistry | 2016| -
Simulation of Solution Phase Electron Transfer in a Compact Donor–Acceptor Dyad
Online Contents | 2011| -
Assessment of the SCF density functional theory approach for electronic excitations in organic dyes
Online Contents | 2011| -
Extension of Intramolecular Charge-Transfer State Lifetime by Encapsulation in Porous Frameworks
American Chemical Society | 2017| -
How Parallel Are Excited State Potential Energy Surfaces from Time-Independent and Time-Dependent DFT? A BODIPY Dye Case Study
American Chemical Society | 2016| -
Self-Consistent Optimization of Excited States within Density-Functional Tight-Binding
American Chemical Society | 2016| -
Fluorescence Quenching by Photoinduced Electron Transfer in the Zn2+ Sensor Zinpyr-1: A Computational Investigation
American Chemical Society | 2010| -
Assessment of the ΔSCF density functional theory approach for electronic excitations in organic dyes
National licenceAmerican Institute of Physics | 2011| -
A multireference perturbation method using non-orthogonal Hartree-Fock determinants for ground and excited states
American Institute of Physics | 2013| -
Simulation of Solution Phase Electron Transfer in a Compact Donor–Acceptor Dyad
American Chemical Society | 2011| -
Electronic transition dipole moments from time-independent excited-state density-functional tight-binding
American Institute of Physics | 2023| -
Excitation energies and Stokes shifts from a restricted open-shell Kohn-Sham approach
National licenceAmerican Institute of Physics | 2013| -
What Can Density Functional Theory Tell Us about Artificial Catalytic Water Splitting?
American Chemical Society | 2014| -
Determinant Factors of Three-Dimensional Aromaticity in Antiaromatic Cyclophanes
Free accessAmerican Chemical Society | 2021|
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