IRIS
GUIDO, CIRO ACHILLE
 Distribuzione geografica
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Continente #
EU - Europa 308
NA - Nord America 58
AS - Asia 37
Totale 403
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Nazione #
IE - Irlanda 218
US - Stati Uniti d'America 58
SE - Svezia 46
DE - Germania 34
SG - Singapore 25
HK - Hong Kong 12
IT - Italia 4
NL - Olanda 4
FI - Finlandia 2
Totale 403
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Città #
Dublin 218
Mülheim 32
Singapore 18
Hong Kong 12
Amsterdam 4
Boardman 4
Novara 4
Helsinki 2
Totale 294
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Nome #
Coupling to Charge Transfer States is the Key to Modulate the Optical Bands for Efficient Light Harvesting in Purple Bacteria 17
Communication: One third: A new recipe for the PBE0 paradigm 16
An open quantum system theory for polarizable continuum models 16
Circularly Polarized Luminescence from Axially Chiral BODIPY DYEmers: An Experimental and Computational Study 16
Electronic Excitations in Solution: The Interplay between State Specific Approaches and a Time-Dependent Density Functional Theory Description 16
Excited state gradients for a state-specific continuum solvation approach: The vertical excitation model within a Lagrangian TDDFT formulation 15
EXAT: EXcitonic analysis tool 15
Calorimetric investigation of the aggregation of lithium perfluorooctanoate on poly (ethyleneglycol) oligomers in water 15
Hybrid theoretical models for molecular nanoplasmonics 15
A fully automated implementation of VPT2 Infrared intensities 15
Circular Dichroism and TDDFT Investigation of Chiral Fluorinated Aryl Benzyl Sulfoxides 14
Exploring the Spatial Features of Electronic Transitions in Molecular and Biomolecular Systems by Swift Electrons 14
“Computational studies of environmental effects and their interplay with experiment” 13
First-principle investigation of the double ESIPT process in a thiophene-based dye 13
Simple Protocol for Capturing Both Linear-Response and State-Specific Effects in Excited-State Calculations with Continuum Solvation Models 13
Structures and Properties of Electronically Excited Chromophores in Solution from the Polarizable Continuum Model Coupled to the Time-Dependent Density Functional Theory 13
Investigating ultrafast two-pulse experiments on single DNQDI fluorophores: A stochastic quantum approach 12
Benchmarking Time-Dependent Density Functional Theory for Excited State Geometries of Organic Molecules in Gas-Phase and in Solution 12
Effective electron displacements: A tool for time-dependent density functional theory computational spectroscopy 12
On the Metric of Charge Transfer Molecular Excitations: A Simple Chemical Descriptor 12
An Ab Initio Description of the Excitonic Properties of LH2 and Their Temperature Dependence 12
Control of Coherences and Optical Responses of Pigment-Protein Complexes by Plasmonic Nanoantennae 12
Negative solvatochromism of push–pull biphenyl compounds: a theoretical study 12
Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) Models 12
On the TD-DFT Accuracy in Determining Single and Double Bonds in Excited-State Structures of Organic Molecules 11
Excited State Dipole Moments in Solution: Comparison between State-Specific and Linear-Response TD-DFT Values 11
The Bethe-Salpeter formalism with polarisable continuum embedding: reconciling linear-response and state-specific features 11
Metrics for Molecular Electronic Excitations: A Comparison between Orbital- and Density-Based Descriptors 11
The role of magnetic-electric coupling in exciton-coupled ECD spectra: the case of bis-phenanthrenes 11
The Fate of a Zwitterion in Water from Ab-Initio Molecular Dynamics: Monoethanolamine (MEA)-CO2 11
Plasmon enhanced light harvesting: multiscale modeling of the FMO protein coupled with gold nanoparticles 10
Practical computation of electronic excitation in solution: vertical excitation model 10
On the description of the environment polarization response to electronic transitions 7
Planar versus twisted intramolecular charge transfer mechanism in Nile Red: new hints from theory 7
CPL calculations of [7]helicenes with alleged exceptional emission dissymmetry values 6
Totale 438
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Categoria #
all - tutte 4.283
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 4.283
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2022/2023314 0 0 0 0 36 19 6 23 194 0 33 3
2023/2024123 2 1 34 10 33 2 12 0 1 1 1 26
2024/20251 1 0 0 0 0 0 0 0 0 0 0 0
Totale 438