| Nome |
# |
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EXAT: EXcitonic analysis tool, file e0d6c930-a13f-fcf8-e053-d805fe0aa794
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199
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Single-chain self-folding in an amphiphilic copolymer: An integrated experimental and computational study, file e0d6c930-b05f-fcf8-e053-d805fe0aa794
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141
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Atomic Detail of Protein Folding Revealed by an Ab Initio Reappraisal of Circular Dichroism, file e0d6c930-7dd3-fcf8-e053-d805fe0aa794
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112
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Electronic Excitations in Nonpolar Solvents: Can the Polarizable Continuum Model Accurately Reproduce Solvent Effects?, file e0d6c930-85f1-fcf8-e053-d805fe0aa794
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102
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Polarizable embedding QM/MM: the future gold standard for complex (bio)systems?, file 849cdd7a-1b08-460a-9607-ef7955b92b23
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82
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The role of charge-transfer states in the spectral tuning of antenna complexes of purple bacteria, file e0d6c930-80bc-fcf8-e053-d805fe0aa794
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65
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Quantum Chemical Modeling of the Photoinduced Activity of Multichromophoric Biosystems, file e0d6c92d-d57c-fcf8-e053-d805fe0aa794
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62
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The molecular mechanisms of light adaption in light-harvesting complexes of purple bacteria revealed by a multiscale modeling, file e0d6c92d-bf35-fcf8-e053-d805fe0aa794
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47
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Multiscale Models for Light-Driven Processes, file e0d6c931-0f83-fcf8-e053-d805fe0aa794
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46
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Coupling to Charge Transfer States is the Key to Modulate the Optical Bands for Efficient Light Harvesting in Purple Bacteria, file e0d6c930-682e-fcf8-e053-d805fe0aa794
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45
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Coherence in carotenoid-to-chlorophyll energy transfer, file e0d6c930-edc0-fcf8-e053-d805fe0aa794
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41
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Efficient photoinduced charge separation in a BODIPY-C60 dyad, file e0d6c930-9c16-fcf8-e053-d805fe0aa794
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37
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An Ab Initio Description of the Excitonic Properties of LH2 and Their Temperature Dependence, file e0d6c931-2371-fcf8-e053-d805fe0aa794
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37
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Modelling excitation energy transfer in covalently linked molecular dyads containing a BODIPY unit and a macrocycle, file 76a2d02b-b47d-4c8b-a761-3ebc77f3c613
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35
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Electronic couplings for photo-induced processes from subsystem time-dependent density-functional theory: The role of the diabatization, file e0d6c92f-167e-fcf8-e053-d805fe0aa794
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27
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Unravelling the ultrafast dynamics of a N-BODIPY compound, file 60972bf7-dd54-40ce-bfa6-e11d50aa2032
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25
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A Quantum Chemical Interpretation of Two-Dimensional Electronic Spectroscopy of Light-Harvesting Complexes, file e0d6c930-7e23-fcf8-e053-d805fe0aa794
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23
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Exciton properties and optical spectra of light harvesting complex II from a fully atomistic description, file 7453a20d-e704-49ee-a7ec-144cdf3b79bd
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20
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Elucidating the role of structural fluctuations, and intermolecular and vibronic interactions in the spectroscopic response of a bacteriophytochrome, file e0d6c92e-a049-fcf8-e053-d805fe0aa794
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20
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Is energy transfer limiting multiphotochromism? Answers from ab initio quantifications, file e0d6c929-2230-fcf8-e053-d805fe0aa794
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16
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Successes & challenges in the atomistic modeling of light-harvesting and its photoregulation, file e0d6c92d-bf37-fcf8-e053-d805fe0aa794
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14
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A fast method for electronic couplings in embedded multichromophoric systems, file e0d6c932-2a84-fcf8-e053-d805fe0aa794
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13
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A synthetic oxygen sensor for plants based on animal hypoxia signalling, file e0d6c92b-1652-fcf8-e053-d805fe0aa794
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11
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Structure of the stress-related LHCSR1 complex determined by an integrated computational strategy, file e0d6c932-13ac-fcf8-e053-d805fe0aa794
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11
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Ultrafast Transient Infrared Spectroscopy of Photoreceptors with Polarizable QM/MM Dynamics, file e0d6c931-88d1-fcf8-e053-d805fe0aa794
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10
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The energy transfer model of nonphotochemical quenching: Lessons from the minor CP29 antenna complex of plants, file e0d6c92f-3bca-fcf8-e053-d805fe0aa794
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9
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From crystallographic data to the solution structure of photoreceptors: the case of the AppA BLUF domain, file e0d6c931-8044-fcf8-e053-d805fe0aa794
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9
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Excitonic Nature of Carotenoid-Phthalocyanine Dyads and Its Role in Transient Absorption Spectra, file e0d6c932-227d-fcf8-e053-d805fe0aa794
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9
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Charge transfer from the carotenoid can quench chlorophyll excitation in antenna complexes of plants, file e0d6c92e-77a4-fcf8-e053-d805fe0aa794
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8
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Molecular Mechanisms of Activation in the Orange Carotenoid Protein Revealed by Molecular Dynamics, file e0d6c92f-d3b3-fcf8-e053-d805fe0aa794
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8
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Computational Investigation of Structural and Spectroscopic Properties of LOV-Based Proteins with Improved Fluorescence, file e0d6c92f-f595-fcf8-e053-d805fe0aa794
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8
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The Multiple Roles of the Protein in the Photoactivation of Orange Carotenoid Protein, file 7e5650c8-1c78-4d27-8980-6bb514d20d94
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7
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Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) Models, file e0d6c931-23c0-fcf8-e053-d805fe0aa794
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7
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A different perspective for nonphotochemical quenching in plant antenna complexes, file e0d6c931-3ccf-fcf8-e053-d805fe0aa794
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7
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The structural changes in the signaling mechanism of bacteriophytochromes in solution revealed by a multiscale computational investigation, file e0d6c931-0cd8-fcf8-e053-d805fe0aa794
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5
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An Ab Initio Description of the Excitonic Properties of LH2 and Their Temperature Dependence, file e0d6c928-5537-fcf8-e053-d805fe0aa794
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4
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Uncovering the interactions driving carotenoid binding in light-harvesting complexes, file e0d6c931-665d-fcf8-e053-d805fe0aa794
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4
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Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization, file e0d6c932-4418-fcf8-e053-d805fe0aa794
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4
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Electron and excitation energy transfers in covalently linked donor-acceptor dyads: mechanisms and dynamics revealed using quantum chemistry, file e0d6c929-a6e0-fcf8-e053-d805fe0aa794
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3
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A Quantum Chemical Interpretation of Two-Dimensional Electronic Spectroscopy of Light-Harvesting Complexes, file e0d6c930-ab60-fcf8-e053-d805fe0aa794
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3
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Modelling excitation energy transfer in covalently linked molecular dyads containing a BODIPY unit and a macrocycle, file 4cc5c577-3d40-4bda-9872-8c3bd20fa644
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2
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Plasmon Enhanced Light Harvesting: Multiscale Modeling of the FMO Protein Coupled with Gold Nanoparticles, file e0d6c926-8821-fcf8-e053-d805fe0aa794
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2
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Photoprotection and triplet energy transfer in higher plants: The role of electronic and nuclear fluctuations, file e0d6c928-545f-fcf8-e053-d805fe0aa794
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2
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Efficient photoinduced charge separation in a BODIPY-C60 dyad, file e0d6c928-5c53-fcf8-e053-d805fe0aa794
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2
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Modeling excitation energy transfer in multi-BODIPY architectures, file e0d6c929-2b69-fcf8-e053-d805fe0aa794
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2
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The Multiple Roles of the Protein in the Photoactivation of Orange Carotenoid Protein, file e0d6c92d-f2d6-fcf8-e053-d805fe0aa794
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2
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The modeling of the absorption lineshape for embedded molecules through a polarizable QM/MM approach, file e0d6c930-c750-fcf8-e053-d805fe0aa794
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2
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Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) Models, file e0d6c930-80bd-fcf8-e053-d805fe0aa794
|
1
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The modeling of the absorption lineshape for embedded molecules through a polarizable QM/MM approach, file e0d6c930-826e-fcf8-e053-d805fe0aa794
|
1
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The role of charge-transfer states in the spectral tuning of antenna complexes of purple bacteria, file e0d6c930-8712-fcf8-e053-d805fe0aa794
|
1
|
|
EXAT: EXcitonic analysis tool, file e0d6c930-8bbf-fcf8-e053-d805fe0aa794
|
1
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Coupling to Charge Transfer States is the Key to Modulate the Optical Bands for Efficient Light Harvesting in Purple Bacteria, file e0d6c930-a13c-fcf8-e053-d805fe0aa794
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1
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Ultrafast Excited-State Dynamics of Carotenoids and the Role of the SX State, file e177142b-0570-4280-833b-da3a39797a3e
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1
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| Totale |
1356 |