CNR Institutional Research Information System

SANTORO, FABRIZIO
 Distribuzione geografica
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Continente #
EU - Europa 3.721
AS - Asia 3.611
NA - Nord America 1.776
SA - Sud America 584
AF - Africa 62
OC - Oceania 7
Totale 9.761
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Nazione #
RU - Federazione Russa 2.608
US - Stati Uniti d'America 1.661
SG - Singapore 1.594
CN - Cina 849
BR - Brasile 480
IT - Italia 448
HK - Hong Kong 360
VN - Vietnam 328
FR - Francia 233
KR - Corea 142
DE - Germania 74
GB - Regno Unito 63
NL - Olanda 63
IN - India 62
JP - Giappone 58
CA - Canada 56
FI - Finlandia 54
ES - Italia 51
AR - Argentina 44
BD - Bangladesh 33
ID - Indonesia 31
MX - Messico 25
EC - Ecuador 22
SA - Arabia Saudita 20
ZA - Sudafrica 20
IL - Israele 17
AT - Austria 15
IQ - Iraq 13
PK - Pakistan 13
LT - Lituania 12
PL - Polonia 12
TR - Turchia 12
UA - Ucraina 12
CO - Colombia 11
BE - Belgio 10
JM - Giamaica 10
SE - Svezia 10
AE - Emirati Arabi Uniti 9
IE - Irlanda 9
TN - Tunisia 9
EG - Egitto 8
UZ - Uzbekistan 8
CL - Cile 7
KE - Kenya 7
MY - Malesia 7
AU - Australia 6
AZ - Azerbaigian 6
CH - Svizzera 6
PY - Paraguay 6
VE - Venezuela 6
DO - Repubblica Dominicana 5
JO - Giordania 5
MA - Marocco 5
PE - Perù 5
PH - Filippine 5
RS - Serbia 5
CY - Cipro 4
GR - Grecia 4
HN - Honduras 4
HU - Ungheria 4
PT - Portogallo 4
TH - Thailandia 4
AL - Albania 3
CR - Costa Rica 3
CZ - Repubblica Ceca 3
DK - Danimarca 3
KG - Kirghizistan 3
KZ - Kazakistan 3
NI - Nicaragua 3
NP - Nepal 3
PA - Panama 3
BB - Barbados 2
BG - Bulgaria 2
BH - Bahrain 2
DZ - Algeria 2
EE - Estonia 2
GE - Georgia 2
GH - Ghana 2
KW - Kuwait 2
LY - Libia 2
MD - Moldavia 2
MN - Mongolia 2
MU - Mauritius 2
NO - Norvegia 2
OM - Oman 2
RO - Romania 2
SK - Slovacchia (Repubblica Slovacca) 2
TW - Taiwan 2
UY - Uruguay 2
AF - Afghanistan, Repubblica islamica di 1
AM - Armenia 1
BN - Brunei Darussalam 1
BO - Bolivia 1
BY - Bielorussia 1
BZ - Belize 1
CG - Congo 1
CI - Costa d'Avorio 1
CU - Cuba 1
KH - Cambogia 1
LA - Repubblica Popolare Democratica del Laos 1
Totale 9.748
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Città #
Singapore 923
Santa Clara 582
Hefei 364
Hong Kong 349
San Jose 206
Beijing 193
Lauterbourg 178
Seoul 136
Ashburn 122
Ho Chi Minh City 113
Hanoi 71
Los Angeles 66
Dallas 55
Lappeenranta 38
New York 38
São Paulo 36
Frankfurt am Main 31
Amsterdam 26
Florence 25
Tokyo 25
Buffalo 23
Rio de Janeiro 20
Cascina 19
Minamishinagawa 19
Belo Horizonte 18
Da Nang 18
Orem 18
Bengaluru 15
Haiphong 15
Helsinki 15
Paris 14
Toronto 13
Council Bluffs 12
Montreal 12
Chennai 11
Columbus 11
Denver 11
Johannesburg 11
Pisa 11
Warsaw 11
Brussels 10
Dhaka 10
London 10
Stockholm 10
Atlanta 9
Brasília 9
Buenos Aires 9
Guangzhou 9
Guayaquil 9
Vienna 9
Brooklyn 8
Campinas 8
Chicago 8
Curitiba 8
Livorno 8
Ninh Bình 8
Phoenix 8
Riyadh 8
Casandrino 7
City of London 7
Dublin 7
Düsseldorf 7
Elk Grove Village 7
Goiânia 7
Ha Long 7
Houston 7
Istanbul 7
Jakarta 7
Madrid 7
Milan 7
Porto Alegre 7
Recife 7
Tashkent 7
Asunción 6
Baku 6
Bắc Giang 6
Kyiv 6
Lấp Vò 6
Nairobi 6
Osaka 6
Osasco 6
Salvador 6
Shanghai 6
The Dalles 6
Thái Bình 6
Biên Hòa 5
Bogotá 5
Braunschweig 5
Cairo 5
Charlotte 5
Dubai 5
Fortaleza 5
Hyderabad 5
Hải Dương 5
Kingston 5
Kuala Lumpur 5
Mumbai 5
Santiago 5
Seattle 5
Volta Redonda 5
Totale 4.284
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Nome #
Effect of A-DNA and B-DNA Conformation on the Interplay between Local Excitations and Charge-Transfer States in the Ultrafast Decay of Guanine–Cytosine Stacked Dimers: A Quantum Dynamical Investigation 761
Quantum Dynamics Predicts Coherent Oscillations in the Early Times of a Biological Photoisomerization 740
Modelling the role of internal flexibility and inter-state couplings modulated by an explicit environment in the absorption spectrum of coelenteramide 732
Diabatization with Electrostatic Embedding for Studying Photophysics in Organic Molecular Crystals 670
Vibronic effects in ecd spectroscopy: from single chromophores to exciton dimers 84
The interplay between pipi* and npi* lowest excited states in nonradiative decay of photoexcited thymine 84
Quantum Dynamics of ultrafast photoinduced processes in biological molecules 83
Quantum and semiclassical dynamical studies of nonadiabatic processes in solution: achievements and perspectives 75
Excitonic Model for Strongly Coupled Multichromophoric Systems: The Electronic Circular Dichroism Spectra of Guanine Quadruplexes as Test Cases 71
A Combined Experimental-Computational Investigation to Uncover the Puzzling (Chiro-)optical Response of Pyridocyclophanes: One- and Two-Photon Spectra 70
The photoactivated dynamics of dGpdC and dCpdG sequences in DNA: a comprehensive quantum mechanical study 69
Linear vibronic coupling approach for surface-enhanced Raman scattering: quantifying the charge-transfer enhancement mechanism 68
Explicit Modelling of Spectral Bandshapes by a Mixed Quantum-Classical Approach: Solvent Order and Temperature Effects in the Optical Spectra of Distyrylbenzene 66
Non-adiabatic direct quantum dynamics using force fields: Toward solvation 66
Nonadiabatic Vibrational Resonance Raman Spectra from Quantum Dynamics Propagations with LVC Models. Application to Thymine 62
Quantum-Classical Protocol for Efficient Characterization of Absorption Lineshape and Fluorescence Quenching upon Aggregation: The Case of Zinc Phthalocyanine Dyes 62
In vivo absorption spectra of the two stable states of the Euglena photoreceptor photocycle 61
Non-Phenomenological Description of the Time-Resolved Emission in Solution with Quantum-Classical Vibronic Approaches--Application to Coumarin C153 in Methanol 61
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 59
Effect of the Thermal Fluctuations of the Photophysics of GC and CG DNA Steps: A Computational Dynamical Study 58
Parameterization of a linear vibronic coupling model with multiconfigurational electronic structure methods to study the quantum dynamics of photoexcited pyrene 58
Jahn–Teller Couplings and Exciton Models Reveal Origins of Chiroptical Activity in Symmetric Cyclic π-Conjugated Systems 58
Sub-100-fs energy transfer in coenzyme NADH is a coherent process assisted by a charge-transfer state 58
The Ultrafast Quantum Dynamics of Photoexcited Adenine-Thymine Basepair Investigated with a Fragment-based Diabatization and a Linear Vibronic Coupling Model 58
Fragment Diabatization Linear Vibronic Coupling Model for Quantum Dynamics of Multichromophoric Systems: Population of the Charge-Transfer State in the Photoexcited Guanine-Cytosine Pair 57
Trajectory-Surface-Hopping Study of the Renner-Teller Effect in the N(2D) +H2 Reaction 56
The Resonance Raman Spectrum of Cytosine in Water: Analysis of the Effect of Specific Solute-Solvent Interactions and Non-Adiabatic Couplings 56
FCclasses3: Vibrationally-resolved spectra simulated at the edge of the harmonic approximation 56
UV-vis spectra of p-benzosemiquinone radical anion in solution by a TD-DFT/PCM approach 55
Ultrafast Dynamics of the Two Lowest Bright Excited States of Cytosine and 1-Methylcytosine: A Quantum Dynamical Study 55
The ÀÀ*/nÀ* decay in photoexcited pyrimidine nucleobases. A quantum dynamical study Holistic Computational Spectroscopy: innovative concepts, modern tools, strategic vision and challenges 55
Nucleic Acids as a Playground for the Computational Study of the Photophysics and Photochemistry of Multichromophore Assemblies 55
First and Second Order Expansions for Origin Independent Vibronic Calculations of Electronic Chiroptical Spectra Beyond the Franck–Condon Approximation 54
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 54
Vibronic Coupling Explains the Different Shape of Electronic Circular Dichroism and of Circularly Polarized Luminescence Spectra of Hexahelicenes 53
Duschinsky , Herzberg-Teller, and Multiple Electronic Resonance Interferential Effects in Resonance Raman Spectra and Excitation Pro fi les . The Case of Pyrene 52
Dissecting the nature and dynamics of electronic excitations in a solid-state aggregate of a representative non-fullerene acceptor 52
Quantum dynamics of the ππ*/nπ* decay of the epigenetic nucleobase 1,5-dimethyl-cytosine in the gas phase 52
Toward the simulation of optical and chiroptical properties of polythiophenes. Hybrid quantum/classical dynamical approaches 51
Accounting for Vibronic Features through a Mixed Quantum-Classical Scheme: Structure, Dynamics, and Absorption Spectra of a Perylene Diimide Dye in Solution 51
The absorption and emission spectra in solution of oligothiophene-based push-pull biomarkers: a PCM/TD-DFT vibronic study 50
Chirality Amplified: Long, Discrete Helicene Nanoribbons 50
Adiabatic-Molecular Dynamics Generalized Vertical Hessian Approach: A Mixed Quantum Classical Method to Compute Electronic Spectra of Flexible Molecules in the Condensed Phase 50
Excited state absorption of DNA bases in the gas phase and in chloroform solution: a comparative quantum mechanical study 50
Nonlinear Molecular Electronic Spectroscopy via MCTDH Quantum Dynamics: From Exact to Approximate Expressions 50
Vibronically resolved electronic circular dichroism spectra of R-(+)-3-methyl-cyclopentanone: A theoretical study 49
Towards the understanding of the excited state dynamics of nucelic acids: Solvent and stacking effects on the photophysical behaviour of nucleobases, 49
Helical Ladder Oligomers Exhibit Amplified Circularly Polarized Emission 49
Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: pyrimidine as a test case 48
Time-Resolved X-ray Absorption Spectroscopy: An MCTDH Quantum Dynamics Protocol 48
Unraveling the contributions to the spectral shape of flexible dyes in solution: insights on the absorption spectrum of an oxyluciferin analogue 46
Ultrafast resonance energy transfer in the umbelliferone-alizarin bichromophore 45
Nonadiabatic Absorption Spectra and Ultrafast Dynamics of DNA and RNA Photoexcited Nucleobases 45
Influence of symmetry breaking on the absorption spectrum of crystal violet: from isolated cations at 5 K to room temperature solutions 45
Deciphering the Luminescence Spectral Shape of an Oxyluciferin Analogue through a Mixed Quantum-Classical Approach 44
Combination of transient 2D-IR experiments and AB initio computations sheds light on the formation of the charge-transfer state in photoexcited carbonyl carotenoids 44
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 43
Spectroscopy from quantum dynamics: a mixed wave function/analytical line shape functions approach 43
Modeling Solvent Broadening on the Vibronic Spectra of a Series of Coumarin Dyes. From Implicit to Explicit Solvent Models 43
Excited-State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods 42
Anticooperative self-assembly of perylene diimide dyes in water unveiled by advanced molecular dynamics simulations 42
Hierarchical transformation of Hamiltonians with linear and quadratic couplings for nonadiabatic quantum dynamics: Application to the pipi*/npi* internal conversion in thymine 42
Solvent Effects on Ultrafast Charge Transfer Population: Insights from the Quantum Dynamics of Guanine-Cytosine in Chloroform 42
Distinct Helical Molecular Orbitals through Conformational Lock 41
Time-independent approaches to simulate electronic spectra lineshapes. From small molecules to mactrosystems , in Computational Strategies for Spectroscopy: from Small Molecules to Nano Systems 40
Vibrationally resolved two-photon electronic spectra including vibrational pre-excitation: Theory and application to VIPER spectroscopy with two-photon excitation 40
Electronic spectroscopy of a solvatochromic dye in water: comparison of static cluster/implicit and dynamical/explicit solvent models on structures and energies 40
Quantum dynamics of the photodeactivation mechanisms in DNA single nucleobases and oligomers 40
Theoretical investigation of the broad one-photon absorption line-shape of a flexible symmetric carbazole derivative 40
Femtosecond photoelectron spectroscopy of trans-stilbene above the reaction barrier 39
Intermolecular Exciton Coupling and Vibronic Effects in Solid-State Circular Dichroism: a Case Study 39
Quantum-classical calculation of the absorption and emission spectral shapes of oligothiophenes at low and room temperature by first-principle calculations 39
Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg-Teller effect: The Qx band of porphyrin as a case study. 39
Quantum Dynamics of the Ultrafast pi pi*/n pi* Population Transfer in Uracil and 5-Fluoro-Uracil in Water and Acetonitrile 38
Quantum dynamical approach for the calculation of vibrationally resolved ECD spectra induced by exciton couplings 38
Efficient time-independent method for the calculation of resonance Raman spectra in sizeable molecules including Duschinsky and Herzberg-Teller effects 38
Effective method to compute vibrationally resolved optical spectra of large molecules at finite temperature in the gas phase and in solution 38
Origin of Chiroptic Amplification in Perylene-Diimide Helicenes 38
Differences in the lineshapes of absorption and emission electronic spectra in gas phase and in polar solution 38
Time-dependent approaches to the calculation of steady-state vibronic spectra. From fully quantum to classical approaches , in Computational Strategies for Spectroscopy: from Small Molecules to Nano Systems 38
Comparison of vertical and adiabatic harmonic approaches for the Calculation of the vibrational structure of electronic spectra 37
Electronic Circular Dichroism in Exciton-Coupled Dimers: Vibronic Spectra from a General All-Coordinates Quantum-Dynamical Approach 37
Computing the inhomogeneous broadening of electronic transitions in solution: a first-principle quantum mechanical approach 37
Predicting fluorescence quantum yields for molecules in solution: A critical assessment of the harmonic approximation and the choice of the lineshape function 36
Quantum dynamics of the photodeactivation processes in DNA nucleobases. The pipi*/npi* decay in uracil 36
Enantiomerically Pure Alleno-acetylenic Macrocycles: Synthesis, Solid State Structures, Chiroptical Properties, and Electron Localization Function Analysis 35
Computation of the lineshape of electronic spectra in solution within polarizable continuum models: Accounting for both vibrational structure and inhomogeneous broadening 35
Time dependent approaches for vibronic spectra and internal conversion rates in large systems 35
Complex excited dynamics around a plateau on a retinal-like potential surface: chaos, multi-exponential decays and quantum/classical differences 35
An effective method to compute vibrationally resolved optical spectra of large molecules in solution including Duschinsky, temperature and Herzberg-Teller effects 35
The excited states of adenine-guanine stacked dimers in aqueous solution: a PCM/TD-DFT study 35
Quantum/Classical Dynamical Approaches for the Calculation of Vibronic Chiral Spectra 34
The role of chlorine position in the electronic circular dichroism of chlorophenyl-ethanol investigated by vibronic calculations 34
Vibronic Model for the Quantum Dynamical Study of the Competition between Bright and Charge-Transfer Excited States in Single-Strand Polynucleotides: The Adenine Dimer Case 34
Nonadiabatic intramolecular dynamics of NO2. 34
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 34
Electronic Circular Dichroism in excitonic-coupled dimers: A general all-coordinates quantum-dynamical approach 33
Excitation Dynamics in Hetero-bichromophoric Calixarene Systems 33
Quantum and Semiclassical Dynamics 33
Mixed Quantum/Classical Method for Nonadiabatic Quantum Dynamics in Explicit Solvent Models: The ??*/n?* Decay of Thymine in Water as a Test Case 33
Totale 7.515
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Categoria #
all - tutte 28.554
article - articoli 25.147
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 348
Totale 54.049
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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
2024/20252.752 56 16 201 122 568 103 11 303 64 86 651 571
2025/20266.956 252 486 365 619 847 167 621 225 2.829 455 90 0
Totale 9.890