IRIS
GIOVANNINI, TOMMASO
 Distribuzione geografica
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Continente #
NA - Nord America 153
AS - Asia 19
EU - Europa 2
Totale 174
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Nazione #
US - Stati Uniti d'America 153
CN - Cina 11
SG - Singapore 4
ID - Indonesia 3
DE - Germania 1
HK - Hong Kong 1
NL - Olanda 1
Totale 174
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Città #
Council Bluffs 40
Shenzhen 8
Jakarta 3
Singapore 3
Amsterdam 1
Columbus 1
Frankfurt am Main 1
Wuxi 1
Totale 58
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Nome #
Energy-Based Molecular Orbital Localization in a Specific Spatial Region 9
Assessing the quality of QM/MM approaches to describe vacuo-to-water solvatochromic shifts 9
Kohn–Sham fragment energy decomposition analysis 8
An efficient and robust procedure to calculate absorption spectra of aqueous charged species applied to NO2− 8
On the Transition from a Biomimetic Molecular Switch to a Rotary Molecular Motor 8
Absorption Properties of Large Complex Molecular Systems: The DFTB/Fluctuating Charge Approach 8
Calculation of IR Spectra with a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating Dipoles 7
Graphene Plasmonics: Fully Atomistic Approach for Realistic Structures 7
Effective fully polarizable QM/MM approaches to compute Raman and Raman Optical Activity spectra in aqueous solution 7
Quantum Confinement Effects on Solvatochromic Shifts of Molecular Solutes 7
Plasmonic Resonances of Metal Nanoparticles: Atomistic vs. Continuum Approaches 7
Do We Really Need Quantum Mechanics to Describe Plasmonic Properties of Metal Nanostructures? 7
Correction to “Going Beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures” 7
Computational hints for the simultaneous spectroscopic detection of common contaminants in water 7
Simulating vertical excitation energies of solvated dyes: From continuum to polarizable discrete modeling 7
UV-Resonance Raman Spectra of Systems in Complex Environments: A Multiscale Modeling Applied to Doxorubicin Intercalated into DNA 7
Absorption spectra of xanthines in aqueous solution: A computational study 7
Molecular spectroscopy of aqueous solutions: a theoretical perspective 7
Unlocking the Power of Resonance Raman Spectroscopy: the Case of Amides in Aqueous Solution 7
Multiple Facets of Modeling Electronic Absorption Spectra of Systems in Solution 7
Strong Coupling between Localized Surface Plasmons and Molecules by Coupled Cluster Theory 7
Computational Insights into the Adsorption of Ligands on Gold Nanosurfaces 7
Going Beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures 7
Understanding the interplay between the solvent and nuclear rearrangements in the negative solvatochromism of a push-pull flexible quinolinium cation 7
A polarizable embedding approach to second harmonic generation (SHG) of molecular systems in aqueous solutions 7
Towards a cost-effective modeling of fluorescence in the condensed phase 7
Close-Up Look at Electronic Spectroscopic Signatures of Common Pharmaceuticals in Solution 7
Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions 7
Calculation of Linear and Non-linear Electric Response Properties of Systems in Aqueous Solution: A Polarizable Quantum/Classical Approach with Quantum Repulsion Effects 7
Combining multilevel Hartree-Fock and multilevel coupled cluster approaches with molecular mechanics: a study of electronic excitations in solutions 7
Strong Coupling in Chiral Cavities: Nonperturbative Framework for Enantiomer Discrimination 6
Fully Atomistic Modeling of Plasmonic Bimetallic Nanoparticles: Nanoalloys and Core-Shell Systems 6
Fragment Localized Molecular Orbitals 6
In silico design of graphene plasmonic hot-spots 6
Multiscale Modeling of Surface Enhanced Fluorescence 6
Polarizable QM/MM Approach with Fluctuating Charges and Fluctuating Dipoles: the QM/FQFμ model 6
Continuum vs. atomistic approaches to computational spectroscopy of solvated systems 6
Amide Spectral Fingerprints are Hydrogen Bonding-Mediated 6
Interplay between conformational and solvent effects in UV-visible absorption spectra: curcumin tautomers as a case study 6
Multilevel Density Functional Theory 6
Atomistic Multiscale Modeling of Colloidal Plasmonic Nanoparticles 5
Multiscale frozen density embedding/molecular mechanics approach for simulating magnetic response properties of solvated systems 5
Modeling UV/Vis Absorption Spectra of Food Colorants in Solution: Anthocyanins and Curcumin as Case Studies 5
Electronic transitions for a fully polarizable QM/MM approach based on fluctuating charges and fluctuating dipoles: Linear and corrected linear response regimes 5
Mixed quantum/classical approach to surface-enhanced spectroscopies 5
Deciphering the structure of deep eutectic solvents: A computational study from the solute's viewpoint 5
Theory and algorithms for chiroptical properties and spectroscopies of aqueous systems 4
E T1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods 4
Real-Time Formulation of Atomistic Electromagnetic Models for Plasmonics 4
Can the Resonance Raman Optical Activity Spectrum Display Sign Alternation? 4
A Classical Picture of Subnanometer Junctions: an Atomistic Drude Approach to Nanoplasmonics 4
Ring Vibrations to Sense Anionic Ibuprofen in Aqueous Solution as Revealed by Resonance Raman 4
Computational Spectroscopy of Aqueous Solutions : The Underlying Role of Conformational Sampling 4
Stereoelectronic, Vibrational, and Environmental Contributions to Polarizabilities of Large Molecular Systems: A Feasible Anharmonic Protocol 4
Time-Dependent Multilevel Density Functional Theory 4
Strain-Induced Plasmon Confinement in Polycrystalline Graphene 3
Linear response properties of solvated systems: a computational study 3
Evaluation of Hyperpolarizability from the Solvatochromic Method: Thiophene Containing Push–Pull Cationic Dyes as a Case Study 3
Fully Polarizable Multiconfigurational Self-Consistent Field/Fluctuating Charges Approach 3
Effective yet reliable computation of hyperfine coupling constants in solution by a QM/MM approach: Interplay between electrostatics and non-electrostatic effects 3
Effective Computational Route to Vibrational Optical Activity Spectra of Chiral Molecules in Aqueous Solution 3
Water maintains the UV-vis spectral features during the insertion of anionic Naproxen and Ibuprofen into model cell membranes 3
Effective Fully Polarizable QM/MM Approach to Model Vibrational Circular Dichroism Spectra of Systems in Aqueous Solutions 3
A polarizable three-layer frozen density embedding/molecular mechanics approach 3
Integrated Multiscale Multilevel Approach to Open Shell Molecular Systems 3
A General Route to Include Pauli Repulsion and Quantum Dispersion Effects in QM/MM Approaches 3
Quantum Mechanics/Fluctuating Charge Protocol to Compute Solvatochromic Shifts 3
A combined experimental and theoretical study of optical rotatory dispersion for (R)-glycidyl methyl ether in aqueous solution 3
QM/Classical Modeling of Surface Enhanced Raman Scattering Based on Atomistic Electromagnetic Models 3
Polarizable Embedding Approach for the Analytical Calculation of Raman and Raman Optical Activity Spectra of Solvated Systems 3
Totale 389
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Categoria #
all - tutte 1.246
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 1.246
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2024/2025389 0 0 0 20 3 366 0 0 0 0 0 0
Totale 389