Related references
Note: Only part of the references are listed.Excited-State Dynamics of [Ru(S-Sbpy)(bpy)2]2+ to Form Long-Lived Localized Triplet States
Moritz Heindl et al.
INORGANIC CHEMISTRY (2021)
Ultrafast and long-time excited state kinetics of an NIR-emissive vanadium(iii) complex I: synthesis, spectroscopy and static quantum chemistry
Matthias Dorn et al.
CHEMICAL SCIENCE (2021)
Molecular Photochemistry: Recent Developments in Theory
Sebastian Mai et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)
TheoDORE: A toolbox for a detailed and automated analysis of electronic excited state computations
F. Plasser
JOURNAL OF CHEMICAL PHYSICS (2020)
Early Relaxation Dynamics in the Photoswitchable Complextrans-[RuCl(NO)(py)4]2+
Francesco Talotta et al.
CHEMISTRY-A EUROPEAN JOURNAL (2020)
Competing ultrafast photoinduced electron transfer and intersystem crossing of [Re(CO)3(Dmp)(His124)(Trp122)]+ in Pseudomonas aeruginosa azurin: a nonadiabatic dynamics study
Sebastian Mai et al.
THEORETICAL CHEMISTRY ACCOUNTS (2020)
A Vanadium(III) Complex with Blue and NIR-II Spin-Flip Luminescence in Solution
Matthias Dorn et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
Intersystem Crossing and Triplet Dynamics in an Iron(II) N-Heterocyclic Carbene Photosensitizer
J. Patrick Zobel et al.
INORGANIC CHEMISTRY (2020)
Photophysics and photochemistry with Earth-abundant metals - fundamentals and concepts
Christoph Foerster et al.
CHEMICAL SOCIETY REVIEWS (2020)
Eliminating nonradiative decay in Cu(I) emitters: >99% quantum efficiency and microsecond lifetime
Rasha Hamze et al.
SCIENCE (2019)
QM/MM nonadiabatic dynamics simulation on ultrafast excited-state relaxation in osmium(II) compounds in solution
Ye-Guang Fang et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2019)
Chiral Molecular Ruby [Cr(dqp)2]3+ with Long-Lived Circularly Polarized Luminescence
Juan-Ramon Jimenez et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
OpenMolcas: From Source Code to Insight
Ignacio Fdez Galvan et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
Luminescence and reactivity of a charge-transfer excited iron complex with nanosecond lifetime
Kasper Skov Kjmer et al.
SCIENCE (2019)
Near-Infrared (NIR) Organic Light-Emitting Diodes (OLEDs): Challenges and Opportunities
Andrea Zampetti et al.
ADVANCED FUNCTIONAL MATERIALS (2019)
Highly efficient surface hopping dynamics using a linear vibronic coupling model
Felix Plasser et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2019)
Unconventional two-step spin relaxation dynamics of [Re(CO)3(im)(phen)]+ in aqueous solution
Sebastian Mai et al.
CHEMICAL SCIENCE (2019)
Blue-Emissive Cobalt(III) Complexes and Their Use in the Photocatalytic Trifluoromethylation of Polycyclic Aromatic Hydrocarbons
Amlan K. Pal et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2018)
Deuterated Molecular Ruby with Record Luminescence Quantum Yield
Cui Wang et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2018)
A Strongly Luminescent Chromium(III) Complex Acid
Sven Otto et al.
CHEMISTRY-A EUROPEAN JOURNAL (2018)
Quantitative wave function analysis for excited states of transition metal complexes
Sebastian Mai et al.
COORDINATION CHEMISTRY REVIEWS (2018)
Early-Time Excited-State Relaxation Dynamics of Iridium Compounds: Distinct Roles of Electron and Hole Transfer
Xiang-Yang Liu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2018)
Ultrafast Intersystem Crossing vs Internal Conversion in alpha-Diimine Transition Metal Complexes: Quantum Evidence
Maria Fumanal et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2018)
Photoactive Complexes with Earth-Abundant Metals
Oliver S. Wenger
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)
Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics
Konstantin Falahati et al.
NATURE COMMUNICATIONS (2018)
Ddpd as Expanded Terpyridine: Dramatic Effects of Symmetry and Electronic Properties in First Row Transition Metal Complexes
Christoph Foerster et al.
INORGANICS (2018)
Trajectory Surface-Hopping Dynamics Including Intersystem Crossing in [Ru(bpy)3]2+
Andrew J. Atkins et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2017)
A Tris(diisocyanide)chromium(0) Complex Is a Luminescent Analog of Fe(2,2′-Bipyridine)32+
Laura A. Buldt et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
A low-spin Fe(III) complex with 100-ps ligand-to-metal charge transfer photoluminescence
Pavel Chabera et al.
NATURE (2017)
The IPEA dilemma in CASPT2
J. Patrick Zobel et al.
CHEMICAL SCIENCE (2017)
Efficient and Flexible Computation of Many-Electron Wave Function Overlaps
Felix Plasser et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
High-Efficiency Iron Photosensitizer Explained with Quantum Wavepacket Dynamics
Mayas Papai et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2016)
[Cr(ddpd)2]3+: A Molecular, Water-Soluble, Highly NIR-Emissive Ruby Analogue
Sven Otto et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)
Using computational chemistry to design Ru photosensitizers with directional charge transfer
Michael Jaeger et al.
COORDINATION CHEMISTRY REVIEWS (2015)
Sub-50-fs photoinduced spin crossover in [Fe(bpy)3]2+
Gerald Auboeck et al.
NATURE CHEMISTRY (2015)
Recent progress in the development of near-infrared fluorescent probes for bioimaging applications
Zhiqian Guo et al.
CHEMICAL SOCIETY REVIEWS (2014)
Light harvesting with Earth abundant d-block metals: Development of sensitizers in dye-sensitized solar cells (DSCs)
Biljana Bozic-Weber et al.
COORDINATION CHEMISTRY REVIEWS (2013)
Analysis of Excitonic and Charge Transfer Interactions from Quantum Chemical Calculations
Felix Plasser et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
SHARC: ab Initio Molecular Dynamics with Surface Hopping in the Adiabatic Representation Including Arbitrary Couplings
Martin Richter et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Effect of the Damping Function in Dispersion Corrected Density Functional Theory
Stefan Grimme et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Comparisons of classical and Wigner sampling of transition state energy levels for quasiclassical trajectory chemical dynamics simulations
Lipeng Sun et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Including quantum decoherence in surface hopping
Giovanni Granucci et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Excited-State Diproton Transfer in [2,2′-Bipyridyl]-3,3′-diol: the Mechanism Is Sequential, Not Concerted
Felix Plasser et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
The on-the-fly surface-hopping program system NEWTON-X: Application to ab initio simulation of the nonadiabatic photodynamics of benchmark systems
Mario Barbatti et al.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY (2007)
New relativistic ANO basis sets for transition metal atoms
BO Roos et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
F Weigend et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
Main group atoms and dimers studied with a new relativistic ANO basis set
BO Roos et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
Army ants algorithm for rare event sampling of delocalized nonadiabatic transitions by trajectory surface hopping and the estimation of sampling errors by the bootstrap method
S Nangia et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2)
G Ghigo et al.
CHEMICAL PHYSICS LETTERS (2004)
The spin-flip approach within time-dependent density functional theory: Theory and applications to diradicals
YH Shao et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Direct semiclassical simulation of photochemical processes with semiempirical wave functions
G Granucci et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Ground state normal mode analysis: Linking excited state dynamics and experimental observables
L Kurtz et al.
JOURNAL OF CHEMICAL PHYSICS (2001)