original ) (raw )Geometries and properties of excited states in the gas phase and in solution: Theory and application of a time-dependent density functional theory polarizable continuum model
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JOURNAL OF CHEMICAL PHYSICS, 2006
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The effectiveness of essential-state models in the description of optical properties of branched push–pull chromophores
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Solvent Effects on Electronically Excited States Using the Conductor-Like Screening Model and the Second-Order Correlated Method ADC(2)
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Excited state properties of sizable molecules in solution: from structure to reactivity
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Calculations of the third-order nonlinear optical responses in push–pull chromophores with a time-dependent density functional theory
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Chemical Physics Letters, 2004
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Assessment of Density Functional Theory for Describing the Correlation Effects on the Ground and Excited State Potential Energy Surfaces of a Retinal Chromophore Model
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Journal of Chemical Theory and Computation, 2013
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The Journal of Chemical Physics, 2006
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Nonlinear Optical Properties of Organic Chromophores Calculated Within Time Dependent Density Functional Theory
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Time-Dependent Density-Functional Approach for Biological Chromophores: The Case of the Green Fluorescent Protein
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Physical Review Letters, 2003
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Excited states properties of organic molecules: from density functional theory to the GW and Bethe-Salpeter Green's function formalisms
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Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 2014
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Prediction of Two-Photon Absorption Properties for Organic Chromophores Using Time-Dependent Density-Functional Theory
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The Journal of Physical Chemistry B, 2004
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Molecular dynamics in electronically excited states using time-dependent density functional theory
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Time-dependent density-functional theory investigation of the formation of the charge transfer excited state for a series of aromatic donor–acceptor systems. Part I
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The Journal of Chemical Physics, 2002
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Convergence of Excitation Energies in Mixed Quantum and Classical Solvent: Comparison of Continuum and Point Charge Models
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Time-resolved fluorescence of polarizable chromophores
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The Journal of Chemical Physics, 2001
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Linear and Two-Photon Absorption Properties of Interacting Polar Chromophores: Standard and Unconventional Effects
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ChemPhysChem, 2006
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Electronic Delocalization, Vibrational Dynamics, and Energy Transfer in Organic Chromophores
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The Journal of Physical Chemistry Letters, 2017
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Performance of DFT Methods in the Calculation of Optical Spectra of TCF-Chromophores
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Excited states properties of organic molecules: from density functional theory to the GW and Bethe–Salpeter Green's function formalisms
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The Effect of Protein Conformational Flexibility on the Electronic Properties of a Chromophore
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Biophysical Journal, 2003
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Impact of Photon Absorption on the Electronic Properties of p -Coumaric Acid Derivatives of the Photoactive Yellow Protein Chromophore
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The Journal of Physical Chemistry B, 2004
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III. Density functional methods for excited States: Equilibrium structure and electronic spectra
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Theoretical and Computational Chemistry, 2005
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Optical saturation driven by exciton confinement in molecular chains: a time-dependent density-functional theory approach
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2008
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Modeling Solvent Effects on Electronic Excited States
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The Journal of Physical Chemistry Letters, 2011
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Theoretical photochemistry of the photochromic molecules based on density functional theory methods
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Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), 2009
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Density functional methods for excited states: equilibrium structure and electronic spectra
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Unraveling Excitonic Effects for the First Hyperpolarizabilities of Chromophore Aggregates
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The Journal of Physical Chemistry C, 2019
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Excited state dynamics of Photoactive Yellow Protein chromophores elucidated by high-resolution spectroscopy and ab initio calculations
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Two-photon absorption in solution by means of time-dependent density-functional theory and the polarizable continuum model
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The Journal of Chemical Physics, 2005
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