IRIS
PADULA, DANIELE
 Distribuzione geografica
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Continente #
EU - Europa 1.611
NA - Nord America 1.502
AS - Asia 309
SA - Sud America 103
AF - Africa 8
OC - Oceania 4
Continente sconosciuto - Info sul continente non disponibili 1
Totale 3.538
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Nazione #
US - Stati Uniti d'America 1.494
IE - Irlanda 496
IT - Italia 294
SG - Singapore 217
RU - Federazione Russa 191
SE - Svezia 161
FR - Francia 115
GB - Regno Unito 110
BR - Brasile 93
DE - Germania 69
UA - Ucraina 66
FI - Finlandia 39
CN - Cina 23
AT - Austria 18
CZ - Repubblica Ceca 15
NL - Olanda 14
HK - Hong Kong 13
IN - India 9
JP - Giappone 7
DK - Danimarca 6
AR - Argentina 5
IQ - Iraq 5
KR - Corea 5
AU - Australia 4
CA - Canada 4
IL - Israele 4
RO - Romania 4
TR - Turchia 4
AZ - Azerbaigian 3
EG - Egitto 3
KG - Kirghizistan 3
AE - Emirati Arabi Uniti 2
BE - Belgio 2
CH - Svizzera 2
LB - Libano 2
LK - Sri Lanka 2
MX - Messico 2
PK - Pakistan 2
PL - Polonia 2
AM - Armenia 1
BA - Bosnia-Erzegovina 1
BO - Bolivia 1
BW - Botswana 1
CI - Costa d'Avorio 1
DZ - Algeria 1
EC - Ecuador 1
ES - Italia 1
EU - Europa 1
GE - Georgia 1
GR - Grecia 1
HN - Honduras 1
ID - Indonesia 1
KZ - Kazakistan 1
LA - Repubblica Popolare Democratica del Laos 1
LV - Lettonia 1
MA - Marocco 1
PA - Panama 1
PY - Paraguay 1
RS - Serbia 1
SI - Slovenia 1
SK - Slovacchia (Repubblica Slovacca) 1
TH - Thailandia 1
TJ - Tagikistan 1
UY - Uruguay 1
UZ - Uzbekistan 1
VE - Venezuela 1
ZA - Sudafrica 1
Totale 3.538
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Città #
Dublin 481
Santa Clara 238
Fairfield 233
Ashburn 118
Woodbridge 113
Siena 99
Wilmington 92
Seattle 83
Southend 79
Princeton 74
Houston 72
Singapore 71
Cambridge 69
Ann Arbor 39
Jacksonville 33
San Mateo 33
Milan 30
Helsinki 29
Nuremberg 25
San Diego 25
Moscow 24
Florence 18
Brno 12
Los Angeles 12
Lappeenranta 10
Rome 10
Shanghai 10
Vienna 10
Chandler 9
Lauterbourg 9
Fremont 7
London 7
São Paulo 7
Boardman 6
Brescia 6
Hong Kong 6
Monastir 6
Pisa 6
Würzburg 6
Bologna 5
Düsseldorf 5
Padova 5
Ponte Buggianese 5
Amsterdam 4
Belo Horizonte 4
Chicago 4
Cluj-Napoca 4
Frankfurt am Main 4
Hounslow 4
Paris 4
San Francisco 4
Santa Croce sull'Arno 4
Tokyo 4
Baku 3
Betim 3
Bishkek 3
Marseille 3
New York 3
Newark 3
Norwalk 3
Novo Hamburgo 3
Pomigliano D'arco 3
Prato 3
Rio de Janeiro 3
Sorocaba 3
Acton 2
Beirut 2
Brussels 2
Cairo 2
Campi Bisenzio 2
Canberra 2
Canoas 2
Casalnuovo di Napoli 2
Chiusi 2
Colombo 2
Curitiba 2
Darmstadt 2
Fabriano 2
Gaiole in Chianti 2
Itajaí 2
Karachi 2
Liverpool 2
Livorno 2
Lodz 2
Manassas 2
Maringá 2
Mexico City 2
Mosul 2
Munich 2
Nanjing 2
Naples 2
Odense 2
Portsmouth 2
Prague 2
Redwood City 2
Reggio Calabria 2
Saarbrücken 2
Salerno 2
Salvador 2
Salò 2
Totale 2.383
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Nome #
Automated QM/MM screening of rhodopsin variants with enhanced fluorescence 107
Evolution of the Automatic Rhodopsin Modeling (ARM) Protocol 103
Elucidating the Relationship between Multiradical Character and Predicted Singlet Fission Activity 99
Analysis of the electronic circular dichroism spectrum of (-)-[9](2,5)pyridinophane 95
A novel bioresponsive self-immolative spacer based on aza-quinone methide reactivity for the controlled release of thiols, phenols, amines, sulfonamides or amides 92
A chemical/computational approach to the determination of absolute configuration of flexible and transparent molecules: Aliphatic diols as a case study 89
Computational identification of novel families of nonfullerene acceptors by modification of known compounds 86
Combining electronic and structural features in machine learning models to predict organic solar cells properties 84
Amplification of the chiroptical response of UV-Transparent amines and alcohols by: N-phthalimide derivatization enabling absolute configuration determination through ECD computational analysis 84
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 83
Chromophore-Dependent Intramolecular Exciton-Vibrational Coupling in the FMO Complex: Quantification and Importance for Exciton Dynamics 81
Concurrent Optimization of Organic Donor–Acceptor Pairs through Machine Learning 81
Bright Frenkel Excitons in Molecular Crystals: A Survey 80
Diastereoselective recognition of α-mannoside by hemicryptophane receptors 78
How fine-tuned for energy transfer is the environmental noise produced by proteins around biological chromophores? 77
Carrier Tunneling from Charge Transfer States in Organic Photovoltaic Cells 77
A simple dimeric model accounts for the vibronic ECD spectra of chiral polythiophenes in their aggregated states 76
Diversonol and blennolide derivatives from the endophytic fungus Microdiplodia sp.: Absolute configuration of diversonol 76
Electronic circular dichroism in exciton-coupled dimers: Vibronic spectra from a general all-coordinates quantum-dynamical approach 76
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 76
On the largest possible mobility of molecular semiconductors and how to achieve it 74
A Combined Experimental-Computational Investigation to Uncover the Puzzling (Chiro-)optical Response of Pyridocyclophanes: One- and Two-Photon Spectra 74
Separation of betti reaction product enantiomers: Absolute configuration and inhibition of botulinum neurotoxin A 73
Intermolecular exciton coupling and vibronic effects in solid-state circular dichroism: A case study 67
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] 67
Strong intermolecular exciton couplings in solid-state circular dichroism of aryl benzyl sulfoxides 66
Three new antimicrobial metabolites from the endophytic fungus phomopsis sp 65
On the arrangement of chromophores in light harvesting complexes: chance versus design 65
How and how much molecular conformation affects electronic circular dichroism: The case of 1,1-diarylcarbinols 64
Novel thermally activated delayed fluorescence materials by high-throughput virtual screening: going beyond donor–acceptor design 62
Importance and Nature of Short-Range Excitonic Interactions in Light Harvesting Complexes and Organic Semiconductors 61
Improved hemicryptophane hosts for the stereoselective recognition of glucopyranosides 61
On the fluorescence enhancement of arch neuronal optogenetic reporters 60
The shape of the electronic circular dichroism spectrum of (2,6-dimethylphenyl)(phenyl)methanol: Interplay between conformational equilibria and vibronic effects 60
Retinal chromophore charge delocalization and confinement explain the extreme photophysics of Neorhodopsin 59
Identification of unknown inverted singlet-triplet cores by high-throughput virtual screening 59
Lignans from Schisandra sphenathera Rehd. et Wils. and semisynthetic schisantherin A analogues: Absolute configuration, and their estrogenic and anti-proliferative activity 59
Trends in the electronic and geometric structure of non-fullerene based acceptors for organic solar cells 57
Organic materials repurposing, a data set for theoretical predictions of new applications for existing compounds 56
Remote control of helical chirality: Thermodynamic resolution of a racemic mixture of CTV units by remote stereogenic centers 55
Synthesis of 3-aryl-4-methyl-1,2-benzenedisulfonimides, new chiral Brønsted acids. A combined experimental and theoretical study 54
Singlet fission molecules among known compounds: Finding a few needles in a haystack 54
Towards a fast machine-learning-assisted prediction of the mechanoelectric response in organic crystals 52
Simulation of Electronic Circular Dichroism of Nucleic Acids: From the Structure to the Spectrum 51
Mechanistic Aspects of the Asymmetric Transfer Hydrogenation in the Manufacture of Noradrenaline 50
Magnetic circular dichroism of porphyrin lanthanide M3+ complexes 49
The OpenMolcas Web: a community-driven approach to advancing computational chemistry 46
Shortwave infrared-absorbing squaraine dyes for all-organic optical upconversion devices 46
Accurate quantum-mechanically derived force-fields through a fragment-based approach: balancing specificity and transferability in the prediction of self-assembly in soft matter 46
Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization 42
Multiple charge separation pathways in new-generation non-fullerene acceptors: a computational study 42
Assessing alkyl side chain effects on electron transport properties of Y6-derived non-fullerene acceptors 41
Molecular geometry impact on deep learning predictions of inverted singlet–triplet gaps 37
A computational perspective on the reactivity of π‐spacers in self‐immolative elimination reactions 36
Discriminating Clockwise and Counterclockwise Photoisomerization Paths in Achiral Photoswitches by Excited-State Electronic Circular Dichroism 28
Fast Nonradiative Decay Paths in Organic Solar Cells: Implications for Designing More Efficient Photovoltaic Systems 23
Optimising conformational effects on thermally activated delayed fluorescence 21
Formation of electron traps in semiconducting polymers via a slow triple-encounter between trap precursor particles 18
Genesis of the Chirality of Polythiophene Aggregates from Classical Molecular Dynamics 13
Computational Design of (B)Chl Models: Structural and Chemical Modifications toward Enriched Properties 13
Multiscale Modeling of Charge Transport in Organic Semiconductors: Assessing the Validity of the Harmonic Approximation for Low-Frequency Vibrations 12
JOYCE3.0: A General Protocol for the Specific Parametrization of Accurate Intramolecular Quantum Mechanically Derived Force Fields 8
Totale 3.746
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Categoria #
all - tutte 21.777
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 21.777
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020168 0 0 0 0 0 0 0 0 0 0 0 168
2020/2021773 18 118 5 99 25 63 149 69 69 24 91 43
2021/2022458 34 22 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
2024/20251.098 22 87 110 101 212 101 90 98 184 78 15 0
Totale 3.746