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Ab‐initio molecular dynamics and hybrid explicit‐implicit solvation model for aqueous and nonaqueous solvents: GFP chromophore in water and methanol solution as case study
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The importance of nuclear quantum effects in spectral line broadening of optical spectra and electrostatic properties in aromatic chromophores
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Absorption Spectrum of the Green Fluorescent Protein Chromophore: A Difficult Case for ab Initio Methods?
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Multiscale Modeling of Electronic Spectra Including Nuclear Quantum Effects
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Multiple Facets of Modeling Electronic Absorption Spectra of Systems in Solution
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Resonance Raman Scattering by the Green Fluorescent Protein and an Analogue of Its Chromophore ⊥
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The Lineshape of the Electronic Spectrum of the Green Fluorescent Protein Chromophore, Part I: Gas Phase
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Projection-Based Wavefunction-in-DFT Embedding
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Active orbital preservation for multiconfigurational self-consistent field
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UV–Visible Absorption Spectra of Solvated Molecules by Quantum Chemical Machine Learning
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Limits of the Nuclear Ensemble Method for Electronic Spectra Simulations: Temperature Dependence of the ( E )-Azobenzene Spectrum
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Machine learning Frenkel Hamiltonian parameters to accelerate simulations of exciton dynamics
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Lessons from nature about solar light harvesting
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Adiabatic-Molecular Dynamics Generalized Vertical Hessian Approach: A Mixed Quantum Classical Method To Compute Electronic Spectra of Flexible Molecules in the Condensed Phase
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A Mountaineering Strategy to Excited States: Highly Accurate Reference Energies and Benchmarks
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Energetic Basis and Design of Enzyme Function Demonstrated Using GFP, an Excited-State Enzyme
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Role of Quantum Vibrations on the Structural, Electronic, and Optical Properties of 9-Methylguanine
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Fluorescence Proteins, Live-Cell Imaging, and Mechanobiology: Seeing Is Believing
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Accurate and Inexpensive Prediction of the Color Optical Properties of Anthocyanins in Solution
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Absorption Spectrum of the Green Fluorescent Protein Chromophore Anion In Vacuo
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