Works matching IS 23670932 AND DT 2019 AND VI 3 AND IP 9
Results: 36
Cover Feature: The Role of Electronic Triplet States and High‐Lying Singlet States in the Deactivation Mechanism of the Parent BODIPY: An ADC(2) and CASPT2 Study (ChemPhotoChem 9/2019).
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 662, doi. 10.1002/cptc.201900214
- By:
- Publication type:
- Article
Cover Feature: Design of Two‐Photon‐Excited Fluorescent Dyes Containing Fluoroborylene Groups (ChemPhotoChem 9/2019).
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 661, doi. 10.1002/cptc.201900213
- By:
- Publication type:
- Article
Exploring the Possibility of Excited State Keto‐Enolate Transformation of the Oxyluciferin‐Luciferase Complex with QM/MM Free Energy Simulations.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 804, doi. 10.1002/cptc.201900114
- By:
- Publication type:
- Article
Theoretical Study on the Optical Properties of Multichromophoric Systems Based on an Exciton Approach: Modification Guidelines.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 663, doi. 10.1002/cptc.201900211
- By:
- Publication type:
- Article
Computational Photochemistry.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 664, doi. 10.1002/cptc.201900204
- By:
- Publication type:
- Article
The Intriguing Case of the One‐Photon and Two‐Photon Absorption of a Prototypical Symmetric Squaraine: Comparison of TDDFT and Wave‐Function Methods.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 778, doi. 10.1002/cptc.201900121
- By:
- Publication type:
- Article
CCSD‐PCM Excited State Energy Gradients with the Linear Response Singles Approximation to Study the Photochemistry of Molecules in Solution.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 747, doi. 10.1002/cptc.201900152
- By:
- Publication type:
- Article
Front Cover: Theoretical Study on the Optical Properties of Multichromophoric Systems Based on an Exciton Approach: Modification Guidelines (ChemPhotoChem 9/2019).
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 660, doi. 10.1002/cptc.201900212
- By:
- Publication type:
- Article
Using Density Functional Theory Based Methods to Investigate the Photophysics of Polycyclic Aromatic Hydrocarbon Radical Cations: A Benchmark Study on Naphthalene, Pyrene and Perylene Cations.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 763, doi. 10.1002/cptc.201900130
- By:
- Publication type:
- Article
Chirality Induced Spin Selectivity of Photoexcited Electrons in Carbon‐Sulfur [n]Helicenes.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 770, doi. 10.1002/cptc.201900128
- By:
- Publication type:
- Article
Modeling Magneto‐Photoabsorption Using Time‐Dependent Complex Generalized Hartree‐Fock.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 739, doi. 10.1002/cptc.201900161
- By:
- Publication type:
- Article
In Silico Investigation of the Aggregation‐Caused Quenching: the "Tolane‐Based Molecule" Case.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 794, doi. 10.1002/cptc.201900117
- By:
- Publication type:
- Article
Optical Spectra and Fluorescence Quenching in Azaacenes Bearing Five‐Membered Rings.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 755, doi. 10.1002/cptc.201900135
- By:
- Publication type:
- Article
Potential‐Energy Surface and Dynamics Simulation of THBDBA: An Annulated Tetraphenylethene Derivative Combining Aggregation‐Induced Emission and Switch Behavior.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 814, doi. 10.1002/cptc.201900112
- By:
- Publication type:
- Article
One‐ and Two‐Photon‐Induced Photochemistry of Iron Pentacarbonyl [Fe(CO)<sub>5</sub>]: Insights from Coupled Cluster Response Theory.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 825, doi. 10.1002/cptc.201900111
- By:
- Publication type:
- Article
Nonadiabatic Dynamics Simulation Predict Intersystem Crossing in Nitroaromatic Molecules on a Picosecond Time Scale.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 833, doi. 10.1002/cptc.201900108
- By:
- Publication type:
- Article
The Absorption Spectrum of Guanine Based Radicals: a Comparative Computational Analysis.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 846, doi. 10.1002/cptc.201900107
- By:
- Publication type:
- Article
Computing the Ultrafast and Radiationless Electronic Excited State Decay of Cytosine and 5‐methyl‐cytosine Cations: Uncovering the Role of Dynamic Electron Correlation.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 856, doi. 10.1002/cptc.201900105
- By:
- Publication type:
- Article
Design of Two‐Photon‐Excited Fluorescent Dyes Containing Fluoroborylene Groups.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 719, doi. 10.1002/cptc.201900084
- By:
- Publication type:
- Article
Combined Quantum Trajectory Mean‐Field and Molecular Mechanical (QTMF/MM) Nonadiabatic Dynamics Simulations on the Photoinduced Ring‐Opening Reaction of 2(5H)‐Thiophenone.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 897, doi. 10.1002/cptc.201900076
- By:
- Publication type:
- Article
Role of the Geometry Restriction and Quasi‐Degeneracy of the Excited States in Thermally Activated Delayed Fluorescence: A Density Functional Theory Study of Carbzolyl‐Bispyridinylmethanone Derivatives.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 874, doi. 10.1002/cptc.201900099
- By:
- Publication type:
- Article
Excited State Conformations of Bridged and Unbridged Pyrene Excimers.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 881, doi. 10.1002/cptc.201900096
- By:
- Publication type:
- Article
Hydroxyl Radical Addition to Thymine and Cytosine and Photochemistry of the Adducts at the C6 Position.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 889, doi. 10.1002/cptc.201900087
- By:
- Publication type:
- Article
From Light Absorption to Cyclization: Structure and Solvent Effects in Donor‐Acceptor Stenhouse Adducts.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 866, doi. 10.1002/cptc.201900102
- By:
- Publication type:
- Article
Toward Luminescent Iron Complexes: Unravelling the Photophysics by Computing Potential Energy Surfaces.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 666, doi. 10.1002/cptc.201900100
- By:
- Publication type:
- Article
Understanding Aggregation Induced Emission in a Propeller‐Shaped Blue Emitter.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 907, doi. 10.1002/cptc.201900075
- By:
- Publication type:
- Article
Photophysics of Emissive <sup>tz</sup>C[Isothiazolo‐Cytidine] and <sup>tz</sup>U[Isothiazolo‐Uridine] Pyrimidine Analogues.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 916, doi. 10.1002/cptc.201900072
- By:
- Publication type:
- Article
Evaluating 0–0 Energies with Theoretical Tools: A Short Review.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 684, doi. 10.1002/cptc.201900070
- By:
- Publication type:
- Article
Photosensitized Retinal Isomerization in Rhodopsin Mediated by a Triplet State.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 925, doi. 10.1002/cptc.201900067
- By:
- Publication type:
- Article
Theoretical Study on the Optical Properties of Multichromophoric Systems Based on an Exciton Approach: Modification Guidelines.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 707, doi. 10.1002/cptc.201900064
- By:
- Publication type:
- Article
Spectral Variability in Phycocyanin Cryptophyte Antenna Complexes is Controlled by Changes in the α‐Polypeptide Chains.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 945, doi. 10.1002/cptc.201900045
- By:
- Publication type:
- Article
Diabatization by Localization in the Framework of Configuration Interaction Based on Floating Occupation Molecular Orbitals (FOMO−CI).
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 933, doi. 10.1002/cptc.201900056
- By:
- Publication type:
- Article
Mer‐Ir(ppy)<sub>3</sub> to Fac‐Ir(ppy)<sub>3</sub> Photoisomerization.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 697, doi. 10.1002/cptc.201900029
- By:
- Publication type:
- Article
Chemiexcitation without the Peroxide Bond? Replacing Oxygen with other Heteroatoms.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 957, doi. 10.1002/cptc.201800232
- By:
- Publication type:
- Article
Visualisation of Electronic Excited‐State Correlation in Real Space.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 702, doi. 10.1002/cptc.201900014
- By:
- Publication type:
- Article
The Role of Electronic Triplet States and High‐Lying Singlet States in the Deactivation Mechanism of the Parent BODIPY: An ADC(2) and CASPT2 Study.
- Published in:
- ChemPhotoChem, 2019, v. 3, n. 9, p. 727, doi. 10.1002/cptc.201800169
- By:
- Publication type:
- Article