Works matching DE "EXCITED state energies"
Results: 213
Conformational Modulation of Efficient Macrocyclic Emitters Featuring Delayed Fluorescence by Conjugation Length and Cavity Dimensions.
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- Angewandte Chemie, 2025, v. 137, n. 3, p. 1, doi. 10.1002/ange.202415680
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Inverse Design of Singlet‐Fission Materials with Uncertainty‐Controlled Genetic Optimization.
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- Angewandte Chemie, 2025, v. 137, n. 3, p. 1, doi. 10.1002/ange.202415056
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- Article
Achieving Visible‐Light‐Excitable Blue TADF‐Type Afterglow via Delicate Control of Excited States in Difluoroboron β‐Diketonate Systems.
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- Chemistry - A European Journal, 2024, v. 30, n. 18, p. 1, doi. 10.1002/chem.202303834
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Towards Fast Circularly Polarized Luminescence in 2‐Coordinate Chiral Mechanochromic Copper(I) Carbene Complexes.
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- Chemistry - A European Journal, 2023, v. 29, n. 51, p. 1, doi. 10.1002/chem.202300946
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Thermally Activated vs. Photochemical Hydrogen Evolution Reactions–A Tale of Three Metals.
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- Chemistry - A European Journal, 2023, v. 29, n. 26, p. 1, doi. 10.1002/chem.202203590
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Novel Photocatalyst Based on Through‐Space Charge Transfer Induced Intersystem Crossing Enables Rapid and Efficient Polymerization Under Low‐Power Excitation Light.
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- Angewandte Chemie, 2024, v. 136, n. 29, p. 1, doi. 10.1002/ange.202402774
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Fused Azulenyl Squaraine Derivatives Improve Phototheranostics in the Second Near‐Infrared Window by Concentrating Excited State Energy on Non‐Radiative Decay Pathways.
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- Angewandte Chemie, 2024, v. 136, n. 17, p. 1, doi. 10.1002/ange.202400372
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Sequential Multistep Excited‐State Structural Transformations in N,N′‐Diphenyl‐dihydrodibenzo[a,c]phenazine Fluorophores.
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- Angewandte Chemie, 2023, v. 135, n. 29, p. 1, doi. 10.1002/ange.202305572
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Peptide Bond Formation in the Protonated Serine Dimer Following Vacuum UV Photon‐Induced Excitation.
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- Angewandte Chemie, 2023, v. 135, n. 15, p. 1, doi. 10.1002/ange.202218770
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Strong Coupling of Chiral Frenkel Exciton for Intense, Bisignate Circularly Polarized Luminescence.
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- Angewandte Chemie, 2023, v. 135, n. 6, p. 1, doi. 10.1002/ange.202212724
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Brightening up Circularly Polarized Luminescence of Monosubstituted Polyacetylene by Conformation Control: Mechanism, Switching, and Sensing.
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- Angewandte Chemie, 2021, v. 133, n. 40, p. 22089, doi. 10.1002/ange.202108010
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Singlet Fission in Carbene‐Derived Diradicaloids.
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- Angewandte Chemie, 2020, v. 132, n. 20, p. 7980, doi. 10.1002/ange.202001286
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- Article
Vibrationally resolved optical excitations of the nitrogen-vacancy center in diamond.
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- NPJ Computational Materials, 2022, v. 8, n. 1, p. 1, doi. 10.1038/s41524-022-00928-y
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Thermal versus photochemical tautomerization of cytosine and guanine: a BLYP computational study along the IRC curves.
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- Turkish Journal of Chemistry, 2022, v. 46, n. 6, p. 1909, doi. 10.55730/1300-0527.3490
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Effect of Dot Size on Exciton Energy States Confined in a Spherical Gallium Arsenide Quantum Dot.
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- Nanosistemi, Nanomateriali, Nanotehnologii, 2018, v. 16, n. 1, p. 175
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An Optical Differentiator Based on a Three-Layer Structure with a W-Shaped Refractive Index Profile.
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- Journal of Experimental & Theoretical Physics, 2018, v. 127, n. 2, p. 202, doi. 10.1134/S1063776118080174
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Polarization Phenomena in Transparency and Absorption Effects Induced by the Field of Unidirectional Waves.
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- Journal of Experimental & Theoretical Physics, 2018, v. 127, n. 2, p. 189, doi. 10.1134/S1063776118080241
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Küresel Kuantum Noktasında Hidrostatik Basınç ve Dielektrik Sabitinin 2p Uyarılmış Durum Bağlanma Enerjisi ve Yabancı Atom Self-Polarizasyonuna Etkisi.
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- Journal of the Institute of Science & Technology / Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi, 2021, v. 11, n. 1, p. 212, doi. 10.21597/jist.771793
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Electric Field Effect on Excited State Binding Energy and Self-Polarization of a Hydrogenic Impurity in a Spherical Quantum Dot.
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- Journal of the Institute of Science & Technology / Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi, 2020, v. 10, n. 3, p. 1666, doi. 10.21597/jist.715796
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Excited states time evolution on a laser-ablated molybdenum plume.
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- Applied Physics B: Lasers & Optics, 2014, v. 116, n. 4, p. 985, doi. 10.1007/s00340-014-5786-1
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Crossover between collective and independent-particle excitations in quasi-2D electron gas with one filled subband.
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- European Physical Journal B: Condensed Matter, 2018, v. 91, n. 6, p. 1, doi. 10.1140/epjb/e2018-90107-8
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Variational calculations on the energy levels of graphene quantum antidots.
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- European Physical Journal B: Condensed Matter, 2013, v. 86, n. 7, p. 1, doi. 10.1140/epjb/e2013-40193-1
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A three-dimensional potential energy surface and predicted infrared spectra for Kr–N 2 O in the v 1 stretching region of N 2 O.
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- Molecular Physics, 2013, v. 111, n. 6, p. 771, doi. 10.1080/00268976.2012.745629
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A possible trial beyond the conventional random phase approximation for the su(2)-Lipkin model including the case of nonclosed shell system.
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- International Journal of Modern Physics E: Nuclear Physics, 2022, v. 31, n. 5, p. 1, doi. 10.1142/S0218301322500550
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Similar alignment based on total-Routhian-surface approach in an α-decay chain from 216Po to 272Cn.
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- International Journal of Modern Physics E: Nuclear Physics, 2018, v. 27, n. 6, p. N.PAG, doi. 10.1142/S0218301318500507
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PROPERTIES OF Z = 120 NUCLEI AND THE α-DECAY CHAINS OF THE <sup>292,304</sup>120 ISOTOPES USING RELATIVISTIC AND NONRELATIVISTIC FORMALISMS.
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- International Journal of Modern Physics E: Nuclear Physics, 2012, v. 21, n. 11, p. 1, doi. 10.1142/S0218301312500929
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Absolute X‐ray energy measurement using a high‐accuracy angle encoder.
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- Journal of Synchrotron Radiation, 2021, v. 28, n. 1, p. 111, doi. 10.1107/S1600577520014526
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- Article
Transfer of vibrational coherence through incoherent energy transfer process in Förster limit.
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- Canadian Journal of Chemistry, 2014, v. 92, n. 2, p. 135, doi. 10.1139/cjc-2013-0351
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Using coherent control to extract the phases of electronic transition-dipole matrices: the LiRb case.
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- Canadian Journal of Chemistry, 2014, v. 92, n. 2, p. 94, doi. 10.1139/cjc-2013-0385
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How to get deeper insights into the optical properties of lanthanide systems: a computational protocol from ligand to complexes.
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- Pure & Applied Chemistry, 2023, v. 95, n. 6, p. 671, doi. 10.1515/pac-2023-0118
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Chromophores inspired by the colors of fruit, flowers and wine.
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- Pure & Applied Chemistry, 2020, v. 92, n. 2, p. 255, doi. 10.1515/pac-2019-0226
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Assessing and applying DFT approaches for geometries and UV–Vis absorption spectra of tetragonal iron(II) complexes.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 11, p. 1, doi. 10.1007/s00214-024-03150-9
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Structure–property correlation to assist the design of organic blue emitters with thermally activated delayed fluorescence.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 11, p. 1, doi. 10.1007/s00214-024-03145-6
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On the study of dye-sensitized solar cells with high light harvesting efficiency and correlation of its chemical reactivity parameters with overall performance.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 12, p. 1, doi. 10.1007/s00214-023-03061-1
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Transition dipole moment change through proton transfer in 2-mercapto-6-phenylpyridine-3-carbonitrile, computational chemistry study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 8, p. 1, doi. 10.1007/s00214-021-02817-x
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Spherical box model for London dispersion interactions.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 12, p. 1, doi. 10.1007/s00214-018-2374-1
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Nonempirically tuning range-separated functionals for dipole polarizabilities of nanostructures containing hydrogen bonds.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2017, v. 136, n. 2, p. 1, doi. 10.1007/s00214-016-2046-y
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A theoretical study on the spectroscopy, structure, and stability of C2H3NS molecules.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 9, p. 1, doi. 10.1007/s00214-016-1978-6
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The ground and excited states of HBrO2 [HOOBr, HOBrO, and HBr(O)O] and HBrO3 (HOOOBr and HOOBrO) isomers.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 7, p. 1, doi. 10.1007/s00214-016-1931-8
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Excitation energies from time-dependent generalized valence bond method.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 10, p. 1, doi. 10.1007/s00214-015-1718-3
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Choosing an atomic basis set for TD-DFT, SOPPA, ADC(2), CIS(D), CC2 and EOM-CCSD calculations of low-lying excited states of organic dyes.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 6, p. 1, doi. 10.1007/s00214-015-1676-9
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Mechanisms of Relaxation of Electronic Excitation of Triazido-S-triazine.
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- Journal of Nano- & Electronic Physics, 2021, v. 13, n. 5, p. 05009-1, doi. 10.21272/jnep.13(5).05009
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Correspondence.
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- Clinical & Experimental Dermatology, 2024, v. 49, n. 2, p. 160, doi. 10.1093/ced/llad328
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- Article
Study of bottom and charmed baryons in quark-diquark model.
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- European Physical Journal A -- Hadrons & Nuclei, 2020, v. 56, n. 11, p. 1, doi. 10.1140/epja/s10050-020-00291-w
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A systematic study of band structure and electromagnetic properties of neutron rich odd mass Eu isotopes in the projected shell model framework.
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- European Physical Journal A -- Hadrons & Nuclei, 2017, v. 53, n. 10, p. 1, doi. 10.1140/epja/i2017-12393-3
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Application of the escape factor method for determination of excited states densities in a low-pressure argon radio-frequency discharge.
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- Contributions to Plasma Physics, 2013, v. 53, n. 7, p. 549, doi. 10.1002/ctpp.201200114
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Arbitrary Lagrangian-Eulerian simulations of highly electrically charged micro-droplet Coulomb explosion deformation pathways.
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- International Journal of Modeling, Simulation & Scientific Computing, 2016, v. 7, n. 3, p. -1, doi. 10.1142/S1793962316500161
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- Article
Cascade Synthesis of Luminescent Difluoroboron Diketonate Compounds for Room‐Temperature Organic Afterglow Materials.
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- Chinese Journal of Chemistry, 2022, v. 40, n. 21, p. 2507, doi. 10.1002/cjoc.202200354
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Acceptor substituent effect on triphenylamine-based organic dye sensitizers for DSSCs: quantum chemical study.
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- Journal of the Iranian Chemical Society, 2021, v. 18, n. 6, p. 1279, doi. 10.1007/s13738-020-02112-9
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- Article
Temperature Effects on the First Excited State of the Polaron in an Asymmetric Quantum Pseudodot Under Magnetic Field.
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- Journal of Low Temperature Physics, 2019, v. 194, n. 3/4, p. 262, doi. 10.1007/s10909-018-2098-6
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