BLOINO, JULIEN ROLAND MICHEL
 Distribuzione geografica
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Continente #
NA - Nord America 7.008
EU - Europa 4.694
AS - Asia 3.991
SA - Sud America 534
AF - Africa 61
Continente sconosciuto - Info sul continente non disponibili 10
OC - Oceania 2
Totale 16.300
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Nazione #
US - Stati Uniti d'America 6.895
IT - Italia 1.367
CN - Cina 1.253
SG - Singapore 1.173
IE - Irlanda 717
RU - Federazione Russa 679
KR - Corea 616
SE - Svezia 594
BR - Brasile 469
DE - Germania 330
UA - Ucraina 285
TR - Turchia 268
HK - Hong Kong 221
GB - Regno Unito 211
VN - Vietnam 178
FI - Finlandia 93
FR - Francia 79
CH - Svizzera 76
AT - Austria 74
CA - Canada 73
IN - India 50
JP - Giappone 46
BE - Belgio 43
ID - Indonesia 41
PL - Polonia 39
ES - Italia 29
MX - Messico 28
ZA - Sudafrica 25
AR - Argentina 24
NL - Olanda 23
PK - Pakistan 23
BD - Bangladesh 22
IQ - Iraq 17
IR - Iran 13
EC - Ecuador 11
CZ - Repubblica Ceca 10
EU - Europa 10
AE - Emirati Arabi Uniti 8
MA - Marocco 8
CL - Cile 7
RO - Romania 7
CO - Colombia 6
KE - Kenya 6
UZ - Uzbekistan 6
VE - Venezuela 6
IL - Israele 5
MY - Malesia 5
NO - Norvegia 5
NP - Nepal 5
PT - Portogallo 5
TW - Taiwan 5
AZ - Azerbaigian 4
DK - Danimarca 4
EG - Egitto 4
PE - Perù 4
PH - Filippine 4
SA - Arabia Saudita 4
TN - Tunisia 4
AL - Albania 3
JO - Giordania 3
KZ - Kazakistan 3
LT - Lituania 3
PS - Palestinian Territory 3
PY - Paraguay 3
AD - Andorra 2
BY - Bielorussia 2
CI - Costa d'Avorio 2
HN - Honduras 2
HU - Ungheria 2
JM - Giamaica 2
KG - Kirghizistan 2
LK - Sri Lanka 2
LV - Lettonia 2
NG - Nigeria 2
NZ - Nuova Zelanda 2
OM - Oman 2
PA - Panama 2
SY - Repubblica araba siriana 2
AF - Afghanistan, Repubblica islamica di 1
BF - Burkina Faso 1
BG - Bulgaria 1
BH - Bahrain 1
BN - Brunei Darussalam 1
BO - Bolivia 1
BS - Bahamas 1
CD - Congo 1
CR - Costa Rica 1
CY - Cipro 1
DO - Repubblica Dominicana 1
DZ - Algeria 1
EE - Estonia 1
ET - Etiopia 1
GE - Georgia 1
GF - Guiana Francese 1
GP - Guadalupe 1
GY - Guiana 1
IM - Isola di Man 1
LA - Repubblica Popolare Democratica del Laos 1
LC - Santa Lucia 1
LI - Liechtenstein 1
Totale 16.285
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Città #
Dallas 892
Ashburn 891
Chandler 735
Dublin 717
Pisa 666
Seoul 611
Singapore 560
Jacksonville 549
Boardman 428
Moscow 275
New York 260
Hefei 224
Wilmington 216
Hong Kong 214
Beijing 211
Ann Arbor 188
Izmir 162
Boston 158
The Dalles 149
Scuola 140
Millbury 135
Los Angeles 117
Kent 106
Dong Ket 103
Milan 102
Bremen 91
Istanbul 88
Lawrence 83
San Mateo 80
Chicago 71
Vienna 70
Santa Clara 68
Mestre 63
Bern 61
Ogden 61
Woodbridge 56
Washington 52
Munich 49
Guangzhou 47
São Paulo 46
Voghera 46
Brussels 41
Tokyo 41
Columbus 39
Seattle 39
Jakarta 37
Montreal 37
Düsseldorf 36
San Paolo di Civitate 35
Council Bluffs 34
Helsinki 31
Princeton 31
Warsaw 31
Ho Chi Minh City 30
Buffalo 29
London 29
Shanghai 29
Wuhan 24
Denver 23
Stockholm 23
Salt Lake City 22
Dearborn 20
Vimodrone 20
Brooklyn 19
Cesano Boscone 19
Hanoi 19
Johannesburg 19
Poplar 18
Falls Church 17
Rio de Janeiro 17
Houston 16
Toronto 16
Chennai 15
Las Vegas 15
Livorno 15
Phoenix 15
Berlin 14
Amsterdam 13
Fairfield 13
Hangzhou 13
Orem 13
Padova 13
Redmond 13
Rome 13
Saint Petersburg 13
Atlanta 12
Elk Grove Village 12
San Francisco 12
Turku 12
Frankfurt am Main 11
Jiaxing 11
Jinan 11
Lahore 11
North Bergen 11
Nuremberg 11
St Petersburg 11
Stuttgart 11
Belo Horizonte 10
Brasília 10
Kunming 10
Totale 11.026
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Nome #
Accurate Vibrational-Rotational Parameters and Infrared Intensities of 1-Bromo-1-fluoroethene: A Joint Experimental Analysis and Ab Initio Study 328
Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane 252
A fully automated implementation of VPT2 infrared intensities 249
Rotational and Infrared Spectroscopy of Ethanimine: A Route toward Its Astrophysical and Planetary Detection 234
General formulation of vibronic spectroscopy in internal coordinates 232
A general time-dependent route to Resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects 229
An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane 228
Modulation of π character upon complexation captured by molecular rotation spectra 221
Accurate Quantum Chemical Spectroscopic Characterization of Glycolic Acid: A Route Toward its Astrophysical Detection 216
Development of a Virtual Spectrometer for Chiroptical Spectroscopies: The Case of Nicotine 211
Stereoelectronic, Vibrational, and Environmental Contributions to Polarizabilities of Large Molecular Systems: A Feasible Anharmonic Protocol 208
Accuracy and Reliability in the Simulation of Vibrational Spectra: A Comprehensive Benchmark of Energies and Intensities Issuing From Generalized Vibrational Perturbation Theory to Second Order (GVPT2) 206
General Perturb-Then-Diagonalize Model for the Vibrational Frequencies and Intensities of Molecules Belonging to Abelian and Non-Abelian Symmetry Groups 205
Environmental and dynamical effects on the optical properties of molecular systems by time-independent and time-dependent approaches: Coumarin derivatives as test cases 204
A Modern-Fortran Program for Chemical Kinetics on Top of Anharmonic Vibrational Calculations 202
Accurate ground and excited state studies for molecular systems of biological interest. 199
Accurate rest frequencies for propargylamine in the ground and low-lying vibrational states 198
Interplay of stereo-electronic, vibronic and environmental effects in tuning the chiroptical properties of an Ir(III) cyclometalated N-heterocyclic carbene 198
New developments of a multifrequency virtual spectrometer: stereo-electronic, dynamical, and environmental effects on chiroptical spectra 198
A Robust and Effective Time-Independent Route to the Calculation of Resonance Raman Spectra of Large Molecules in Condensed Phases with the Inclusion of Duschinsky, Herzberg–Teller, Anharmonic, and Environmental Effects 194
Ferrocenes with simple chiral substituents: An in-depth theoretical and experimental VCD and ECD study 193
Accurate Simulation of Resonance-Raman Spectra of Flexible Molecules: An Internal Coordinates Approach 191
Accuracy and Interpretability: The Devil and the Holy Grail. New Routes across Old Boundaries in Computational Spectroscopy 187
General Time Dependent Approach to Vibronic Spectroscopy Including Franck–Condon, Herzberg–Teller, and Duschinsky Effects 182
Erratum: The Italian national project of astrobiology-life in space-origin, presence, persistence of life in space, from molecules to extremophiles (Astrobiology (2020) 20:5 (580-582) DOI: 10.1089/ast.2020.2247) 181
A second-order perturbation theory route to vibrational averages and transition properties of molecules: general formulation and application to infrared and vibrational circular dichroism spectroscopies 179
Accurate structure, thermodynamics, and spectroscopy of medium-sized radicals by hybrid coupled cluster/density functional theory approaches: The case of phenyl radical 177
Computational simulation of vibrationally resolved spectra for spin-forbidden transitions 175
Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route 173
General perturbative approach for spectroscopy, thermodynamics and kinetics: methodological background and benchmark studies 171
Absorption and Emission UV-Vis spectra of the TRITC fluorophore molecule in solution: a quantum mechanical study 171
Toward Fully Unsupervised Anharmonic Computations Complementing Experiment for Robust and Reliable Assignment and Interpretation of IR and VCD Spectra from Mid-IR to NIR: The Case of 2,3-Butanediol and trans-1,2-Cyclohexanediol 171
Harmonic and anharmonic vibrational frequency calculations with the double-hybrid B2PLYP method. Analytic second derivatives and benchmark studies 168
The Italian National Project of Astrobiology - Life in Space - Origin, Presence, Persistence of Life in Space, from Molecules to Extremophiles 168
ORG/CTC-KN-01 Bridging the Gap between Theory and Experiment: Modeling Chiroptical Properties and Spectroscopies 167
Toward the design of alkynylimidazole fluorophores: computational and experimental characterization of spectroscopic features in solution and in poly(methyl methacrylate) 166
Towards and Accurate Description of Anharmonic Infrared Spectra in Solution within the Polarizable Continuum Model: Reaction Field, Cavity Field and Nonequilibrium Effects 165
Generalized vibrational perturbation theory for rotovibrational energies of linear, symmetric and asymmetric tops: Theory, approximations, and automated approaches to deal with medium-to-large molecular systems 165
Accurate yet feasible computations of resonance Raman spectra for metal complexes in solution: [Ru(bpy)3]2+ as a case study 163
Computational challenges in Astrochemistry 163
Benchmarking TD-DFT against vibrationally resolved absorption spectra at room temperature: 7-aminocoumarins as test cases 161
Synthesis and Optical Properties of Imidazole-Based Fluorophores having High Quantum Yields 160
Fully anharmonic IR and Raman spectra of medium-size molecular systems: Accuracy and interpretation 160
Environmental and complexation effects on the structures and spectroscopic signatures of organic pigments relevant to cultural heritage: the case of alizarin and alizarin–Mg(ii)/Al(iii) complexes 160
Unraveling the internal conversion process within the Q-bands of a chlorophyll-like-system through surface-hopping molecular dynamics simulations 159
A Multifrequency Virtual Spectrometer for Complex Bio-Organic Systems: Vibronic and Environmental Effects on the UV/Vis Spectrum of Chlorophyll a 156
Temperature Dependence of Radiative and Nonradiative Rates from Time-Dependent Correlation Function Methods 156
A VPT2 route to near-infrared spectroscopy: The role of mechanical and electrical anharmonicity 155
Circular dichroism and optical rotation of lactamide and 2-aminopropanol in aqueous solution 155
Implementation and validation of a multi-purpose virtual spectrophotometer for large systems in complex environments 152
Vibrational circular dichroism under the quantum magnifying glass: from the electronic flow to the spectroscopic observable 151
CC/DFT Route toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study 151
ACCURATE SPECTROSCOPIC CHARACTERIZATION OF OXIRANE: A VALUABLE ROUTE TO ITS IDENTIFICATION IN TITAN'S ATMOSPHERE AND THE ASSIGNMENT OF UNIDENTIFIED INFRARED BANDS 149
Reliable vibrational wavenumbers for C=O and N-H stretchings of isolated and hydrogen-bonded nucleic acid bases 149
Toward an Accurate Modeling of Optical Rotation for Solvated Systems: Anharmonic Vibrational Contributions Coupled to the Polarizable Continuum Model 148
Accounting for Molecular Flexibility in Photoionization: Case of tert-Butyl Hydroperoxide 147
Simulation of theoretical IR spectra for complex molecular systems from vibrational perturbative approaches: glycine as a test case 146
Theoretical Investigation of the Circularly Polarized Luminescence of a Chiral Boron Dipyrromethene (BODIPY) Dye 146
Tuning of NMR and EPR parameters by vibrational averaging and environmental effects: an integrated computational approach 144
Aiming at an accurate prediction of vibrational and electronic spectra for medium-to-large molecules: An overview 144
Validation of the DFT/N07D computational model on the magnetic, vibrational and electronic properties of vinyl radical 143
Multipolar symmetric squaraines with large two-photon absorption cross-sections in the NIR region 143
Toward ab-initio Anharmonic Vibrational Circular Dichroism Spectra in Condensed Phase 143
Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: Pyrimidine as a test case 143
Vibronic coupling investigation to compute phosphorescence spectra of Pt(II) complexes 143
Vibronic Effects on Rates of Excitation Energy Transfer and Their Temperature Dependence 140
Time-Dependent Formulation of Resonance Raman Optical Activity Spectroscopy 140
Anharmonic Effects on Vibrational Spectra Intensities: Infrared, Raman, Vibrational Circular Dichroism, and Raman Optical Activity 140
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 138
Integrated computational approach to vibrationally resolved electronic spectra: anisole as a test case 137
Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution 136
Simulation of Vibronic Spectra of Flexible Systems: Hybrid DVR-Harmonic Approaches 136
Role of specific solute-solvent interactions on the photophysical properties of distyryl substituted BODIPY derivatives 134
Reliable Structural, Thermodynamic, and Spectroscopic Properties of Organic Molecules Adsorbed on Silicon Surfaces from Computational Modeling: the Case of Glycine@Si(100) 132
General approach to compute vibrationally resolved one-photon electronic spectra 130
Erratum: “Towards an accurate description of anharmonic infrared spectra in solution within the polarizable continuum model: Reaction field, cavity field and nonequilibrium effects” [J. Chem. Phys. 135, 104505 (2011)] 130
On the simulation of vibrationally resolved electronic spectra of medium-size molecules: The case of styryl substituted BODIPYs 130
Theoretical multilevel approach for studying the photophysical properties of organic dyes in solution 129
Chapter 8. Time-independent Approaches to Simulate Electronic Spectra Lineshapes: From Small Molecules to Macrosystems 129
Erratum: "Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution" [J. Chem. Phys. 126, 084509 (2007)] 128
An Effective and Automated Processing of Resonances in Vibrational Perturbation Theory Applied to Spectroscopy 127
First principle simulation of vibrationally resolved A2 B1←X2 A1 electronic transition of phenyl radical 127
Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems 126
Noncovalent Interactions in the Gas Phase: The Anisole–Phenol Complex 125
Prediction of Molecular Properties for Systems of Biological Interests 125
Toward anharmonic computations of vibrational spectra for large molecular systems 124
Perturb-Then-Diagonalize Vibrational Engine Exploiting Curvilinear Internal Coordinates 123
Anharmonicity Effects in the Vibrational CD Spectra of Propylene Oxide 121
Mid-IR and CH stretching vibrational circular dichroism spectroscopy to distinguish various sources of chirality: The case of quinophaneoxazoline based ruthenium(II) complexes 120
State-of-the-art computation of the rotational and IR spectra of the methyl-cyclopropyl cation: Hints on its detection in space 120
High Resolution Electronic Spectroscopy of the Anisole Dimer in a Molecular Beam: Equilibrium Structure of a Complex Stabilized by the Stacking Interaction 118
Fluorescence spectra of organic dyes in solution: a time dependent multilevel approach 116
Ultraviolet resonance Raman spectroscopy of anthracene: Experiment and theory 114
Anharmonic Aspects in Vibrational Circular Dichroism Spectra from 900 to 9000 cm−1 for Methyloxirane and Methylthiirane Published as part of The Journal of Physical Chemistry virtual special issue "Vincenzo Barone Festschrift" 109
Anharmonic vibrational Raman optical activity of methyloxirane : theory and experiment pushed to the limits 105
Spectroscopic Characterization of Key Aromatic and Heterocyclic Molecules: A Route toward the Origin of Life 104
Scaling-up VPT2: a feasible route to include anharmonic correction on large molecules 103
Unusual binary aggregates of perylene bisimide revealed by their electronic transitions in helium nanodroplets and DFT calculations 103
Matrix-isolation and cryosolution-VCD spectra of α-pinene as benchmark for anharmonic vibrational spectra calculations 100
Pushing measurements and interpretation of VCD spectra in the IR, NIR and visible ranges to the detectability and computational complexity limits 98
Totale 15.969
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Categoria #
all - tutte 88.838
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 88.838
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021746 0 0 0 0 0 47 82 94 49 237 47 190
2021/2022878 41 5 19 46 71 33 19 95 57 94 35 363
2022/20233.415 234 305 196 276 198 347 2 732 969 25 77 54
2023/20241.218 129 39 114 21 73 382 47 50 108 83 17 155
2024/20253.875 173 81 150 249 503 114 119 215 870 259 538 604
2025/20264.586 822 718 1.269 1.016 715 46 0 0 0 0 0 0
Totale 16.546