IRIS
PADULA, DANIELE
 Distribuzione geografica
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Continente #
NA - Nord America 3.530
EU - Europa 2.861
AS - Asia 2.120
SA - Sud America 521
Continente sconosciuto - Info sul continente non disponibili 238
AF - Africa 152
OC - Oceania 11
Totale 9.433
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Nazione #
US - Stati Uniti d'America 3.431
RU - Federazione Russa 736
IT - Italia 735
SG - Singapore 685
CN - Cina 541
IE - Irlanda 496
BR - Brasile 441
VN - Vietnam 251
HK - Hong Kong 214
FR - Francia 187
SE - Svezia 176
GB - Regno Unito 145
IN - India 98
KR - Corea 97
DE - Germania 90
ZA - Sudafrica 88
FI - Finlandia 84
UA - Ucraina 78
BD - Bangladesh 69
CA - Canada 40
MX - Messico 36
IQ - Iraq 33
NL - Olanda 30
AR - Argentina 29
JP - Giappone 23
AT - Austria 22
CZ - Repubblica Ceca 18
EC - Ecuador 18
KE - Kenya 16
PL - Polonia 14
EG - Egitto 12
NG - Nigeria 12
TR - Turchia 12
ID - Indonesia 11
CO - Colombia 10
ES - Italia 10
PK - Pakistan 10
AU - Australia 9
BE - Belgio 8
MA - Marocco 7
PY - Paraguay 7
AE - Emirati Arabi Uniti 6
DK - Danimarca 6
DZ - Algeria 6
IR - Iran 6
MY - Malesia 6
SA - Arabia Saudita 6
UZ - Uzbekistan 6
VE - Venezuela 6
AZ - Azerbaigian 5
CH - Svizzera 5
KZ - Kazakistan 5
RO - Romania 5
CL - Cile 4
IL - Israele 4
KG - Kirghizistan 4
LB - Libano 4
LT - Lituania 4
PH - Filippine 4
TN - Tunisia 4
CR - Costa Rica 3
HN - Honduras 3
PA - Panama 3
AM - Armenia 2
CI - Costa d'Avorio 2
CY - Cipro 2
DO - Repubblica Dominicana 2
ET - Etiopia 2
GE - Georgia 2
JM - Giamaica 2
LK - Sri Lanka 2
MD - Moldavia 2
NI - Nicaragua 2
NP - Nepal 2
OM - Oman 2
PE - Perù 2
RS - Serbia 2
SV - El Salvador 2
TH - Thailandia 2
TT - Trinidad e Tobago 2
UY - Uruguay 2
AO - Angola 1
BA - Bosnia-Erzegovina 1
BB - Barbados 1
BG - Bulgaria 1
BH - Bahrain 1
BO - Bolivia 1
BW - Botswana 1
BY - Bielorussia 1
EU - Europa 1
GR - Grecia 1
HU - Ungheria 1
JO - Giordania 1
LA - Repubblica Popolare Democratica del Laos 1
LC - Santa Lucia 1
LV - Lettonia 1
MQ - Martinica 1
NR - Nauru 1
PR - Porto Rico 1
PS - Palestinian Territory 1
Totale 9.189
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Città #
Dublin 481
Dallas 390
Singapore 333
Santa Clara 273
Ashburn 262
San Jose 248
Fairfield 233
Milan 222
Moscow 212
Hong Kong 202
Hefei 126
The Dalles 115
Woodbridge 113
Council Bluffs 111
Beijing 103
Siena 100
Wilmington 93
Seattle 89
Seoul 89
Ho Chi Minh City 85
Los Angeles 85
Johannesburg 81
Southend 79
Houston 78
Rome 75
Princeton 74
Cambridge 69
Lauterbourg 66
Hanoi 57
New York 46
Florence 42
Guangzhou 41
Ann Arbor 39
São Paulo 39
Bengaluru 38
Turku 36
Jacksonville 34
San Mateo 33
Helsinki 30
Nuremberg 27
Chicago 26
Redondo Beach 26
San Diego 26
Shanghai 22
Columbus 20
Atlanta 19
Lappeenranta 18
Rio de Janeiro 17
Boston 16
Buffalo 16
Boardman 15
Chennai 15
Munich 15
Orem 15
Baghdad 14
Figino 14
Bologna 13
Brooklyn 13
Brno 12
Denver 12
Tokyo 12
Amsterdam 11
London 11
Manchester 11
Mexico City 11
Naples 11
Stockholm 11
Turin 11
Warsaw 11
Brescia 10
Chandler 10
Miami 10
Vienna 10
Abuja 9
Frankfurt am Main 9
Mumbai 9
Phoenix 9
Pisa 9
Toronto 9
Washington 9
Belo Horizonte 8
Brasília 8
Curitiba 8
Da Nang 8
Fremont 8
Haiphong 8
Montreal 8
Porto Alegre 8
Poplar 7
Salt Lake City 7
Betim 6
Biên Hòa 6
Genoa 6
Guayaquil 6
Monastir 6
Newark 6
Ninh Bình 6
San Francisco 6
Sydney 6
Tashkent 6
Totale 5.634
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Nome #
A novel bioresponsive self-immolative spacer based on aza-quinone methide reactivity for the controlled release of thiols, phenols, amines, sulfonamides or amides 508
Automated QM/MM screening of rhodopsin variants with enhanced fluorescence 245
Evolution of the Automatic Rhodopsin Modeling (ARM) Protocol 185
The shape of the electronic circular dichroism spectrum of (2,6-dimethylphenyl)(phenyl)methanol: Interplay between conformational equilibria and vibronic effects 183
Combining electronic and structural features in machine learning models to predict organic solar cells properties 180
A chemical/computational approach to the determination of absolute configuration of flexible and transparent molecules: Aliphatic diols as a case study 179
Analysis of the electronic circular dichroism spectrum of (-)-[9](2,5)pyridinophane 177
Retinal chromophore charge delocalization and confinement explain the extreme photophysics of Neorhodopsin 175
Computational Design of (B)Chl Models: Structural and Chemical Modifications toward Enriched Properties 165
On the fluorescence enhancement of arch neuronal optogenetic reporters 163
Elucidating the Relationship between Multiradical Character and Predicted Singlet Fission Activity 162
Mechanistic Aspects of the Asymmetric Transfer Hydrogenation in the Manufacture of Noradrenaline 159
On the largest possible mobility of molecular semiconductors and how to achieve it 159
Computational identification of novel families of nonfullerene acceptors by modification of known compounds 159
Chromophore-Dependent Intramolecular Exciton-Vibrational Coupling in the FMO Complex: Quantification and Importance for Exciton Dynamics 157
Towards a fast machine-learning-assisted prediction of the mechanoelectric response in organic crystals 155
Identification of unknown inverted singlet-triplet cores by high-throughput virtual screening 154
The OpenMolcas Web: a community-driven approach to advancing computational chemistry 153
Amplification of the chiroptical response of UV-Transparent amines and alcohols by: N-phthalimide derivatization enabling absolute configuration determination through ECD computational analysis 153
Combined use of three forms of chiroptical spectroscopies in the study of the absolute configuration and conformational properties of 3- phenylcyclopentanone, 3-phenylcyclohexanone, and 3-phenylcycloheptanone 146
A computational perspective on the reactivity of π‐spacers in self‐immolative elimination reactions 145
Bright Frenkel Excitons in Molecular Crystals: A Survey 145
Carrier Tunneling from Charge Transfer States in Organic Photovoltaic Cells 142
Molecular geometry impact on deep learning predictions of inverted singlet–triplet gaps 141
Synthesis, X-ray, and Spectroscopic Study of Dissymmetric Tetrahedral Zinc(II) Complexes from Chiral Schiff Base Naphthaldiminate Ligands with Apparent Exception to the ECD Exciton Chirality 141
A simple dimeric model accounts for the vibronic ECD spectra of chiral polythiophenes in their aggregated states 140
Assessing alkyl side chain effects on electron transport properties of Y6-derived non-fullerene acceptors 137
Concurrent Optimization of Organic Donor–Acceptor Pairs through Machine Learning 136
A Combined Experimental-Computational Investigation to Uncover the Puzzling (Chiro-)optical Response of Pyridocyclophanes: One- and Two-Photon Spectra 134
Accurate quantum-mechanically derived force-fields through a fragment-based approach: balancing specificity and transferability in the prediction of self-assembly in soft matter 133
Multiscale Modeling of Charge Transport in Organic Semiconductors: Assessing the Validity of the Harmonic Approximation for Low-Frequency Vibrations 132
On the arrangement of chromophores in light harvesting complexes: chance versus design 132
JOYCE3.0: A General Protocol for the Specific Parametrization of Accurate Intramolecular Quantum Mechanically Derived Force Fields 132
How and how much molecular conformation affects electronic circular dichroism: The case of 1,1-diarylcarbinols 130
Organic materials repurposing, a data set for theoretical predictions of new applications for existing compounds 130
Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization 129
Separation of betti reaction product enantiomers: Absolute configuration and inhibition of botulinum neurotoxin A 129
Diversonol and blennolide derivatives from the endophytic fungus Microdiplodia sp.: Absolute configuration of diversonol 128
Multiple charge separation pathways in new-generation non-fullerene acceptors: a computational study 127
Three new antimicrobial metabolites from the endophytic fungus phomopsis sp 126
Electronic circular dichroism in exciton-coupled dimers: Vibronic spectra from a general all-coordinates quantum-dynamical approach 126
Fast Nonradiative Decay Paths in Organic Solar Cells: Implications for Designing More Efficient Photovoltaic Systems 123
Novel thermally activated delayed fluorescence materials by high-throughput virtual screening: going beyond donor–acceptor design 123
Diastereoselective recognition of α-mannoside by hemicryptophane receptors 120
How fine-tuned for energy transfer is the environmental noise produced by proteins around biological chromophores? 119
Strong intermolecular exciton couplings in solid-state circular dichroism of aryl benzyl sulfoxides 118
Intermolecular exciton coupling and vibronic effects in solid-state circular dichroism: A case study 117
The "case of Two Compounds with Similar Configuration but Nearly Mirror Image CD Spectra" Refuted. Reassignment of the Absolute Configuration of N-Formyl-3′,4′-dihydrospiro[indan-1,2′(1′H)-pyridine] 117
Improved hemicryptophane hosts for the stereoselective recognition of glucopyranosides 117
Synthesis of 3-aryl-4-methyl-1,2-benzenedisulfonimides, new chiral Brønsted acids. A combined experimental and theoretical study 113
Importance and Nature of Short-Range Excitonic Interactions in Light Harvesting Complexes and Organic Semiconductors 111
Optimising conformational effects on thermally activated delayed fluorescence 110
Discriminating Clockwise and Counterclockwise Photoisomerization Paths in Achiral Photoswitches by Excited-State Electronic Circular Dichroism 109
A Set of Quantum-Mechanically Derived Force Fields for Natural and Synthetic Retinal Photoswitches 107
Trends in the electronic and geometric structure of non-fullerene based acceptors for organic solar cells 107
Lignans from Schisandra sphenathera Rehd. et Wils. and semisynthetic schisantherin A analogues: Absolute configuration, and their estrogenic and anti-proliferative activity 107
Circularly Polarized Luminescence from an Inverted Singlet–Triplet Chiral Dye 106
Remote control of helical chirality: Thermodynamic resolution of a racemic mixture of CTV units by remote stereogenic centers 106
Shortwave infrared-absorbing squaraine dyes for all-organic optical upconversion devices 103
Simulation of Electronic Circular Dichroism of Nucleic Acids: From the Structure to the Spectrum 102
Singlet fission molecules among known compounds: Finding a few needles in a haystack 100
Genesis of the Chirality of Polythiophene Aggregates from Classical Molecular Dynamics 99
Organic luminescent radicals with blue-green emission for organic light-emitting diodes 90
Magnetic circular dichroism of porphyrin lanthanide M3+ complexes 90
Toward Circularly Polarized Luminescence from Inherently Chiral Inverted Singlet–Triplet Chromophores 79
Delocalization versus coherence under vibrational and environmental disorder in photoexcited supramolecular aggregates 78
Formation of electron traps in semiconducting polymers via a slow triple-encounter between trap precursor particles 61
On the Role of Electronic Correlation and State‐Specific Environment Polarization in Singlet–Triplet Gap Inversion 61
Anticooperative self-assembly of perylene diimide dyes in water unveiled by advanced molecular dynamics simulations 59
Three‐Step Synthesis Toward Fluorene‐Based Non‐Fused‐Ring Acceptors for Organic Solar Cells 26
Effect of thermal disorder on the electronic structure and the charge mobility of acenes 23
Totale 9.433
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Categoria #
all - tutte 36.084
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 36.084
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2021/2022402 0 0 45 0 49 34 13 31 42 56 32 100
2022/2023490 45 42 89 44 10 132 28 35 26 7 18 14
2023/2024759 17 41 65 32 20 137 255 20 9 13 43 107
2024/20251.683 22 87 110 101 212 101 90 98 184 78 169 431
2025/20264.346 322 569 500 549 686 182 459 183 162 250 148 336
2026/2027756 273 335 148 0 0 0 0 0 0 0 0 0
Totale 9.433