Benedetta Mennucci kimiko italiano
Mennucci, Benedetta.
Mennucci, Benedetta, 1969-
VIAF ID: 164903174 (Personal)
Permalink: http://viaf.org/viaf/164903174
Preferred Forms
- 100 0 _ ‡a Benedetta Mennucci ‡c kimiko italiano
- 200 _ 1 ‡a Mennucci ‡b , Benedetta
- 100 1 _ ‡a Mennucci, Benedetta
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- 100 1 _ ‡a Mennucci, Benedetta
- 100 1 _ ‡a Mennucci, Benedetta
- 100 1 _ ‡a Mennucci, Benedetta ‡d 1969-
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4xx's: Alternate Name Forms (6)
5xx's: Related Names (1)
Works
Title | Sources |
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Continuum solvation models in chemical physics, 2007: | |
Negative solvatochromism of push–pull biphenyl compounds: a theoretical study | |
Non covalent interactions in RNA and DNA base pairs: a quantum-mechanical study of the coupling between solvent and electronic density | |
Nonequilibrium Environment Dynamics in a Frequency-Dependent Polarizable Embedding Model | |
Nonsymmetric bent-core liquid crystals based on a 1,3,4-thiadiazole core unit and their nematic mesomorphism | |
On the performance of continuum solvation methods. A comment on "Universal approaches to solvation modeling". | |
On the photophysics of carotenoids: a multireference DFT study of peridinin. | |
On the TD-DFT accuracy in determining single and double bonds in excited-state structures of organic molecules | |
The ONIOM-PCM method: Combining the hybrid molecular orbital method and the polarizable continuum model for solvation. Application to the geometry and properties of a merocyanine in solution | |
The Optical Rotation of Glucose Prototypes: A Local or a Global Property? | |
Optical Signatures of OBO Fluorophores: A Theoretical Analysis. | |
Orientational order of fluorinated mesogens containing the 1,3,2-dioxaborinane ring: a multidisciplinary approach | |
Orientational order of two fluoro- and isothiocyanate-substituted nematogens by combination of 13C NMR spectroscopy and DFT calculations | |
Perspective Collections in the Limelight | |
Photoinduced electron transfer in 5-bromouracil labeled DNA. A contrathermodynamic mechanism revisited by electron transfer theories | |
Photoprocessus non adiabatiques dans les fragments d'acide nucléique et autres chromophores biologiquement actifs. | |
Photoprotection and triplet energy transfer in higher plants: the role of electronic and nuclear fluctuations. | |
Photosynthetic light-harvesting is tuned by the heterogeneous polarizable environment of the protein | |
Planar vs. twisted intramolecular charge transfer mechanism in Nile Red: new hints from theory | |
Plasmon-controlled light-harvesting: design rules for biohybrid devices via multiscale modeling | |
Polarizable embedding QM/MM: the future gold standard for complex (bio)systems? | |
Polarizable QM/Classical Approaches for the Modeling of Solvation Effects on UV-Vis and Fluorescence Spectra: An Integrated Strategy. | |
A polarizable QM/MM description of environment effects on NMR shieldings: from solvated molecules to pigment–protein complexes | |
Polarizable QM/MM Multiconfiguration Self-Consistent Field Approach with State-Specific Corrections: Environment Effects on Cytosine Absorption Spectrum. | |
Practical computation of electronic excitation in solution: vertical excitation model | |
Predicting infinite dilution activity coefficients with the group contribution solvation model: an extension of its applicability to aqueous systems | |
Prediction of optical rotation using density functional theory: 6,8-dioxabicyclo[3.2.1]octanes | |
Preface | |
Probing the interactions between disulfide-based ligands and gold nanoparticles using a functionalised fluorescent perylene-monoimide dye. | |
Properties and Spectroscopies | |
Publisher’s Note: “A time-dependent polarizable continuum model: Theory and application” [J. Chem. Phys. 122, 154501 (2005)] | |
QM/MM Approaches for the Modeling of Photoinduced Processes in Biological Systems | |
Quantum Calculations in Solution for Large to Very Large Molecules: A New Linear Scaling QM/Continuum Approach. | |
Quantum chemical modeling of the cardiolipin headgroup | |
Quantum Chemical Studies of Light Harvesting | |
Quantum, classical, and hybrid QM/MM calculations in solution: general implementation of the ddCOSMO linear scaling strategy. | |
Quantum Mechanical Approach to Solvent Effects on the Optical Properties of Metal Nanoparticles and Their Efficiency As Excitation Energy Transfer Acceptors | |
A quantum mechanical strategy to investigate the structure of liquids: the cases of acetonitrile, formamide, and their mixture | |
The role of charge-transfer states in the spectral tuning of antenna complexes of purple bacteria. | |
The role of magnetic–electric coupling in exciton-coupled ECD spectra: the case of bis-phenanthrenes | |
Self-Consistent Field and Polarizable Continuum Model: A New Strategy of Solution for the Coupled Equations. | |
Self-consistent quantum mechanical model for the description of excitation energy transfers in molecules at interfaces. | |
Shaping excitons in light-harvesting proteins through nanoplasmonics | |
The Simulation of UV-Vis Spectroscopy with Computational Methods | |
The structural changes in the signaling mechanism of bacteriophytochromes in solution revealed by a multiscale computational investigation | |
A Synthetic Oxygen Sensor for Plants Based on Animal Hypoxia Signaling | |
A TDDFT/MMPol/PCM model for the simulation of exciton-coupled circular dichroism spectra | |
Theoretical investigation of the mechanism and dynamics of intramolecular coherent resonance energy transfer in soft molecules: a case study of dithia-anthracenophane | |
Theoretical models and computational applications of molecular phenomena involving the environment effect : dottorato di ricerca, 11. ciclo / Benedetta Mennucci ; supervisor: Jacopo Tomasi ; external supervisor: Benoit Champagne | |
Theoretical Quantification of the Modified Photoactivity of Photochromes Grafted on Metallic Nanoparticles | |
Theoretical Study of Guanine from Gas Phase to Aqueous Solution: Role of Tautomerism and Its Implications in Absorption and Emission Spectra | |
A theoretical study of the copper(I)-catalyzed 1,3-dipolar cycloaddition reaction in dabco-based ionic liquids: the anion effect on regioselectivity. | |
Theoretical Study of the Photophysics of Adenine in Solution: Tautomerism, Deactivation Mechanisms, and Comparison with the 2-Aminopurine Fluorescent Isomer | |
Thiazole orange (TO) as a light-switch probe: a combined quantum-mechanical and spectroscopic study | |
Time-Dependent Complete Active Space Embedded in a Polarizable Force Field | |
Time-dependent non-equilibrium dielectric response in QM/continuum approaches | |
Time dependent solvation: a new frontier for quantum mechanical continuum models | |
Toward a General Formulation of Dispersion Effects for Solvation Continuum Models | |
Toward a Quantum-Mechanical Description of 2D-IR Spectra of Solvated Systems: The Vibrational Mode Coupling within A Polarizable Continuum Model | |
Toward a Unified Modeling of Environment and Bridge-Mediated Contributions to Electronic Energy Transfer: A Fully Polarizable QM/MM/PCM Approach | |
Toward Reliable Prediction of the Energy Ladder in Multichromophoric Systems: A Benchmark Study on the FMO Light-Harvesting Complex | |
Towards a Molecular Scale Interpretation of Excitation Energy Transfer in Solvated Bichromophoric Systems. II. The Through-Bond Contribution | |
Towards an ab initio description of the optical spectra of light-harvesting antennae: application to the CP29 complex of photosystem II. | |
Towards large scale hybrid QM/MM dynamics of complex systems with advanced point dipole polarizable embeddings | |
Towards the elaboration of a QM method to describe molecular solutes under the effect of a very high pressure | |
Ultrafast light harvesting dynamics in the cryptophyte phycocyanin 645. | |
Understanding the influence of disorder on the exciton dynamics and energy transfer in Zn-phthalocyanine H-aggregates | |
Unveiling Solvents Effect on Excited-State Polarizabilities with the Corrected Linear-Response Model | |
Using molecular dynamics and quantum mechanics calculations to model fluorescence observables | |
Vibrational Circular Dichroism within the Polarizable Continuum Model: A Theoretical Evidence of Conformation Effects and Hydrogen Bonding for (S)-(−)-3-Butyn-2-ol in CCl4Solution | |
What is solvatochromism? | |
Which strategy for molecular probe design? An answer from the integration of spectroscopy and QM modeling. | |
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