CNR Institutional Research Information System

SANTORO, FABRIZIO
 Distribuzione geografica
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Continente #
EU - Europa 180
AS - Asia 16
NA - Nord America 2
Totale 198
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Nazione #
IT - Italia 175
SG - Singapore 6
CN - Cina 5
KR - Corea 5
DE - Germania 2
US - Stati Uniti d'America 2
FI - Finlandia 1
FR - Francia 1
GB - Regno Unito 1
Totale 198
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Città #
Cascina 12
Florence 9
Pisa 7
Singapore 5
Guangzhou 3
Seoul 3
Aversa 2
Livorno 2
Naples 2
Roggiano Gravina 2
Yuseong-gu 2
Berlin 1
Council Bluffs 1
Dongguan 1
Forest City 1
Helsinki 1
London 1
Parma 1
Shanghai 1
Totale 57
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Nome #
Fragment Diabatization Linear Vibronic Coupling Model for Quantum Dynamics of Multichromophoric Systems: Population of the Charge-Transfer State in the Photoexcited Guanine-Cytosine Pair 14
Origin of Chiroptic Amplification in Perylene-Diimide Helicenes 12
Parameterization of a linear vibronic coupling model with multiconfigurational electronic structure methods to study the quantum dynamics of photoexcited pyrene 11
Vibronic Spectra of pi-Conjugated Systems with a Multitude of Coupled States: A Protocol Based on Linear Vibronic Coupling Models and Quantum Dynamics Tested on Hexahelicene 11
Linear vibronic coupling approach for surface-enhanced Raman scattering: quantifying the charge-transfer enhancement mechanism 10
Excited state absorption of DNA bases in the gas phase and in chloroform solution: a comparative quantum mechanical study 10
Nucleic Acids as a Playground for the Computational Study of the Photophysics and Photochemistry of Multichromophore Assemblies 9
A computational study of the vibronic effects on the electronic spectra and the photophysics of aza[7]helicene 8
Distinct Helical Molecular Orbitals through Conformational Lock 8
Excited-State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods 7
Adiabatic-Molecular Dynamics Generalized Vertical Hessian Approach: A Mixed Quantum Classical Method to Compute Electronic Spectra of Flexible Molecules in the Condensed Phase 7
Accounting for Vibronic Features through a Mixed Quantum-Classical Scheme: Structure, Dynamics, and Absorption Spectra of a Perylene Diimide Dye in Solution 6
The role of chlorine position in the electronic circular dichroism of chlorophenyl-ethanol investigated by vibronic calculations 6
The photoactivated dynamics of dGpdC and dCpdG sequences in DNA: a comprehensive quantum mechanical study 6
Dissecting the nature and dynamics of electronic excitations in a solid-state aggregate of a representative non-fullerene acceptor 6
FCclasses3: Vibrationally-resolved spectra simulated at the edge of the harmonic approximation 6
Non-adiabatic direct quantum dynamics using force fields: Toward solvation 6
Time-Resolved X-ray Absorption Spectroscopy: An MCTDH Quantum Dynamics Protocol 6
Sub-100-fs energy transfer in coenzyme NADH is a coherent process assisted by a charge-transfer state 6
Explicit Modelling of Spectral Bandshapes by a Mixed Quantum-Classical Approach: Solvent Order and Temperature Effects in the Optical Spectra of Distyrylbenzene 5
Quantum and semiclassical dynamical studies of nonadiabatic processes in solution: achievements and perspectives 4
Excitonic Model for Strongly Coupled Multichromophoric Systems: The Electronic Circular Dichroism Spectra of Guanine Quadruplexes as Test Cases 4
Comparison of vertical and adiabatic harmonic approaches for the Calculation of the vibrational structure of electronic spectra 4
Spectroscopy from quantum dynamics: a mixed wave function/analytical line shape functions approach 4
Ultrafast Dynamics of the Two Lowest Bright Excited States of Cytosine and 1-Methylcytosine: A Quantum Dynamical Study 4
Predicting fluorescence quantum yields for molecules in solution: A critical assessment of the harmonic approximation and the choice of the lineshape function 4
Chirality Amplified: Long, Discrete Helicene Nanoribbons 4
Non-Phenomenological Description of the Time-Resolved Emission in Solution with Quantum-Classical Vibronic Approaches--Application to Coumarin C153 in Methanol 4
The Resonance Raman Spectrum of Cytosine in Water: Analysis of the Effect of Specific Solute-Solvent Interactions and Non-Adiabatic Couplings 3
Quantum-Classical Protocol for Efficient Characterization of Absorption Lineshape and Fluorescence Quenching upon Aggregation: The Case of Zinc Phthalocyanine Dyes 3
Computing the electronic circular dichroism spectrum of DNA quadruple helices of different topology: A critical test for a generalized excitonic model based on a fragment diabatization 3
An Artificial Molecular Switch that Mimics the Visual Pigment and Completes its Photocycle in Picoseconds 3
How the Interplay among Conformational Disorder, Solvation, Local, and Charge-Transfer Excitations Affects the Absorption Spectrum and Photoinduced Dynamics of Perylene Diimide Dimers: A Molecular Dynamics/Quantum Vibronic Approach 2
Nonadiabatic Vibrational Resonance Raman Spectra from Quantum Dynamics Propagations with LVC Models. Application to Thymine 2
Effect of the Thermal Fluctuations of the Photophysics of GC and CG DNA Steps: A Computational Dynamical Study 2
Vibrationally resolved two-photon electronic spectra including vibrational pre-excitation: Theory and application to VIPER spectroscopy with two-photon excitation 2
Nonadiabatic Absorption Spectra and Ultrafast Dynamics of DNA and RNA Photoexcited Nucleobases 2
A computational method for vibrational resonance Raman, including Duschinsky, Herzberg-Teller and multiple electronic resonances effects 2
ON/OFF Spiroconjugation through Peripheral Functionalization: Impact on the Reactivity and Chiroptical Properties of Spirobifluorenes 2
Quantum dynamics of the ππ*/nπ* decay of the epigenetic nucleobase 1,5-dimethyl-cytosine in the gas phase 2
Hierarchical transformation of Hamiltonians with linear and quadratic couplings for nonadiabatic quantum dynamics: Application to the pipi*/npi* internal conversion in thymine 2
Solvent Effects on Ultrafast Charge Transfer Population: Insights from the Quantum Dynamics of Guanine-Cytosine in Chloroform 2
Nonlinear Molecular Electronic Spectroscopy via MCTDH Quantum Dynamics: From Exact to Approximate Expressions 2
Unraveling the contributions to the spectral shape of flexible dyes in solution: insights on the absorption spectrum of an oxyluciferin analogue 2
The Ultrafast Quantum Dynamics of Photoexcited Adenine-Thymine Basepair Investigated with a Fragment-based Diabatization and a Linear Vibronic Coupling Model 2
Statistical analysis of the computed (X)over-tilde(2)A(1)/(A)over-tilde(2)B(2) spectrum of NO2: Some insights into the causes of its irregularity 1
Intermolecular Exciton Coupling and Vibronic Effects in Solid-State Circular Dichroism: a Case Study 1
Accurate Steady-State and Zero-Time Fluorescence Spectra of Large Molecules in Solution by a First-Principle Computational Method 1
Electronic circular dichroism in exciton-coupled dimers: Vibronic spectra from a general all-coordinates quantum-dynamical approach 1
Controlling Photochemistry via Isotopomers and IR Pre-excitation 1
Time dependent approaches for vibronic spectra and internal conversion rates in large systems 1
State Coupling Induces Difference in Two-photon and One-photon Absorption Profiles of Dyes 1
Combination of transient 2D-IR experiments and AB initio computations sheds light on the formation of the charge-transfer state in photoexcited carbonyl carotenoids 1
Comparison of the results of a mean-field mixed quantum/classical method with full quantum predictions for nonadiabatic dynamics: application to the ??*/ n?*decay of thymine 1
TD-DFT investigation of the magnetic circular dichroism spectra of some purine and pyrimidine bases of nucleic acids 1
Totale 240
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Categoria #
all - tutte 2.183
article - articoli 1.931
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 30
Totale 4.144
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2023/2024182 0 0 0 0 0 0 0 0 4 3 32 143
2024/202558 56 2 0 0 0 0 0 0 0 0 0 0
Totale 240