BLOINO, JULIEN ROLAND MICHEL
 Distribuzione geografica
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Continente #
NA - Nord America 7.107
EU - Europa 4.733
AS - Asia 4.123
SA - Sud America 581
AF - Africa 73
Continente sconosciuto - Info sul continente non disponibili 10
OC - Oceania 4
Totale 16.631
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Nazione #
US - Stati Uniti d'America 6.984
IT - Italia 1.371
CN - Cina 1.259
SG - Singapore 1.188
IE - Irlanda 717
RU - Federazione Russa 681
KR - Corea 616
SE - Svezia 596
BR - Brasile 502
DE - Germania 330
UA - Ucraina 287
TR - Turchia 269
HK - Hong Kong 232
GB - Regno Unito 222
VN - Vietnam 213
FI - Finlandia 93
FR - Francia 79
CA - Canada 77
CH - Svizzera 76
AT - Austria 74
IN - India 64
JP - Giappone 47
PL - Polonia 44
BE - Belgio 43
ID - Indonesia 43
ES - Italia 33
MX - Messico 32
PK - Pakistan 31
AR - Argentina 29
BD - Bangladesh 28
ZA - Sudafrica 28
NL - Olanda 26
IQ - Iraq 25
IR - Iran 15
EC - Ecuador 11
KE - Kenya 11
CZ - Repubblica Ceca 10
EU - Europa 10
VE - Venezuela 10
UZ - Uzbekistan 9
AE - Emirati Arabi Uniti 8
CL - Cile 8
MA - Marocco 8
JO - Giordania 7
RO - Romania 7
SA - Arabia Saudita 7
CO - Colombia 6
MY - Malesia 6
NP - Nepal 6
PE - Perù 6
PH - Filippine 6
AZ - Azerbaigian 5
BY - Bielorussia 5
EG - Egitto 5
IL - Israele 5
LT - Lituania 5
NO - Norvegia 5
PT - Portogallo 5
TW - Taiwan 5
DK - Danimarca 4
OM - Oman 4
PS - Palestinian Territory 4
PY - Paraguay 4
TN - Tunisia 4
AL - Albania 3
BH - Bahrain 3
CI - Costa d'Avorio 3
KG - Kirghizistan 3
KZ - Kazakistan 3
PA - Panama 3
AD - Andorra 2
AU - Australia 2
BG - Bulgaria 2
CR - Costa Rica 2
ET - Etiopia 2
HN - Honduras 2
HU - Ungheria 2
JM - Giamaica 2
LK - Sri Lanka 2
LV - Lettonia 2
NG - Nigeria 2
NZ - Nuova Zelanda 2
SN - Senegal 2
SY - Repubblica araba siriana 2
UY - Uruguay 2
AF - Afghanistan, Repubblica islamica di 1
BF - Burkina Faso 1
BN - Brunei Darussalam 1
BO - Bolivia 1
BS - Bahamas 1
CD - Congo 1
CY - Cipro 1
DO - Repubblica Dominicana 1
DZ - Algeria 1
EE - Estonia 1
GE - Georgia 1
GF - Guiana Francese 1
GP - Guadalupe 1
GY - Guiana 1
IM - Isola di Man 1
Totale 16.613
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Città #
Ashburn 925
Dallas 893
Chandler 735
Dublin 717
Pisa 666
Seoul 611
Singapore 575
Jacksonville 549
Boardman 428
Moscow 275
New York 267
Hefei 224
Hong Kong 217
Wilmington 216
Beijing 211
Ann Arbor 188
Izmir 162
Boston 158
The Dalles 150
Scuola 140
Millbury 135
Los Angeles 128
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
São Paulo 49
Guangzhou 47
Voghera 46
Ho Chi Minh City 43
Tokyo 42
Brussels 41
Montreal 40
Columbus 39
Seattle 39
Jakarta 37
Düsseldorf 36
Warsaw 36
San Paolo di Civitate 35
Council Bluffs 34
Helsinki 31
London 31
Princeton 31
Buffalo 29
Shanghai 29
Hanoi 27
Stockholm 25
Denver 24
Wuhan 24
Poplar 22
Salt Lake City 22
Brooklyn 20
Dearborn 20
Johannesburg 20
Vimodrone 20
Cesano Boscone 19
Orem 19
Rio de Janeiro 18
Falls Church 17
Chennai 16
Houston 16
Toronto 16
Amsterdam 15
Las Vegas 15
Livorno 15
Phoenix 15
Berlin 14
San Jose 14
Fairfield 13
Hangzhou 13
Padova 13
Redmond 13
Rome 13
Saint Petersburg 13
Atlanta 12
Baghdad 12
Elk Grove Village 12
Lahore 12
San Francisco 12
Turku 12
Brescia 11
Frankfurt am Main 11
Jiaxing 11
Jinan 11
North Bergen 11
Nuremberg 11
St Petersburg 11
Stuttgart 11
Totale 11.160
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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 334
Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane 255
A fully automated implementation of VPT2 infrared intensities 253
Rotational and Infrared Spectroscopy of Ethanimine: A Route toward Its Astrophysical and Planetary Detection 238
General formulation of vibronic spectroscopy in internal coordinates 235
An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane 231
A general time-dependent route to Resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects 231
Modulation of π character upon complexation captured by molecular rotation spectra 225
Development of a Virtual Spectrometer for Chiroptical Spectroscopies: The Case of Nicotine 220
Accurate Quantum Chemical Spectroscopic Characterization of Glycolic Acid: A Route Toward its Astrophysical Detection 219
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) 213
Stereoelectronic, Vibrational, and Environmental Contributions to Polarizabilities of Large Molecular Systems: A Feasible Anharmonic Protocol 211
General Perturb-Then-Diagonalize Model for the Vibrational Frequencies and Intensities of Molecules Belonging to Abelian and Non-Abelian Symmetry Groups 211
Environmental and dynamical effects on the optical properties of molecular systems by time-independent and time-dependent approaches: Coumarin derivatives as test cases 208
A Modern-Fortran Program for Chemical Kinetics on Top of Anharmonic Vibrational Calculations 207
New developments of a multifrequency virtual spectrometer: stereo-electronic, dynamical, and environmental effects on chiroptical spectra 205
Accurate ground and excited state studies for molecular systems of biological interest. 202
Accurate rest frequencies for propargylamine in the ground and low-lying vibrational states 202
Interplay of stereo-electronic, vibronic and environmental effects in tuning the chiroptical properties of an Ir(III) cyclometalated N-heterocyclic carbene 201
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 199
Ferrocenes with simple chiral substituents: An in-depth theoretical and experimental VCD and ECD study 196
Accurate Simulation of Resonance-Raman Spectra of Flexible Molecules: An Internal Coordinates Approach 195
Accuracy and Interpretability: The Devil and the Holy Grail. New Routes across Old Boundaries in Computational Spectroscopy 192
General Time Dependent Approach to Vibronic Spectroscopy Including Franck–Condon, Herzberg–Teller, and Duschinsky Effects 190
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) 185
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 182
Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route 180
Accurate structure, thermodynamics, and spectroscopy of medium-sized radicals by hybrid coupled cluster/density functional theory approaches: The case of phenyl radical 180
Computational simulation of vibrationally resolved spectra for spin-forbidden transitions 178
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 173
Absorption and Emission UV-Vis spectra of the TRITC fluorophore molecule in solution: a quantum mechanical study 172
Towards and Accurate Description of Anharmonic Infrared Spectra in Solution within the Polarizable Continuum Model: Reaction Field, Cavity Field and Nonequilibrium Effects 172
General perturbative approach for spectroscopy, thermodynamics and kinetics: methodological background and benchmark studies 171
Harmonic and anharmonic vibrational frequency calculations with the double-hybrid B2PLYP method. Analytic second derivatives and benchmark studies 171
The Italian National Project of Astrobiology - Life in Space - Origin, Presence, Persistence of Life in Space, from Molecules to Extremophiles 171
Computational challenges in Astrochemistry 170
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 168
Toward the design of alkynylimidazole fluorophores: computational and experimental characterization of spectroscopic features in solution and in poly(methyl methacrylate) 168
ORG/CTC-KN-01 Bridging the Gap between Theory and Experiment: Modeling Chiroptical Properties and Spectroscopies 168
Accurate yet feasible computations of resonance Raman spectra for metal complexes in solution: [Ru(bpy)3]2+ as a case study 167
Synthesis and Optical Properties of Imidazole-Based Fluorophores having High Quantum Yields 165
Fully anharmonic IR and Raman spectra of medium-size molecular systems: Accuracy and interpretation 164
Benchmarking TD-DFT against vibrationally resolved absorption spectra at room temperature: 7-aminocoumarins as test cases 163
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 163
Unraveling the internal conversion process within the Q-bands of a chlorophyll-like-system through surface-hopping molecular dynamics simulations 161
A Multifrequency Virtual Spectrometer for Complex Bio-Organic Systems: Vibronic and Environmental Effects on the UV/Vis Spectrum of Chlorophyll a 160
Temperature Dependence of Radiative and Nonradiative Rates from Time-Dependent Correlation Function Methods 160
Circular dichroism and optical rotation of lactamide and 2-aminopropanol in aqueous solution 160
A VPT2 route to near-infrared spectroscopy: The role of mechanical and electrical anharmonicity 157
Implementation and validation of a multi-purpose virtual spectrophotometer for large systems in complex environments 155
Vibrational circular dichroism under the quantum magnifying glass: from the electronic flow to the spectroscopic observable 154
CC/DFT Route toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study 154
Toward an Accurate Modeling of Optical Rotation for Solvated Systems: Anharmonic Vibrational Contributions Coupled to the Polarizable Continuum Model 152
Reliable vibrational wavenumbers for C=O and N-H stretchings of isolated and hydrogen-bonded nucleic acid bases 152
ACCURATE SPECTROSCOPIC CHARACTERIZATION OF OXIRANE: A VALUABLE ROUTE TO ITS IDENTIFICATION IN TITAN'S ATMOSPHERE AND THE ASSIGNMENT OF UNIDENTIFIED INFRARED BANDS 150
Accounting for Molecular Flexibility in Photoionization: Case of tert-Butyl Hydroperoxide 150
Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: Pyrimidine as a test case 149
Theoretical Investigation of the Circularly Polarized Luminescence of a Chiral Boron Dipyrromethene (BODIPY) Dye 149
Simulation of theoretical IR spectra for complex molecular systems from vibrational perturbative approaches: glycine as a test case 148
Toward ab-initio Anharmonic Vibrational Circular Dichroism Spectra in Condensed Phase 147
Tuning of NMR and EPR parameters by vibrational averaging and environmental effects: an integrated computational approach 146
Vibronic coupling investigation to compute phosphorescence spectra of Pt(II) complexes 146
Validation of the DFT/N07D computational model on the magnetic, vibrational and electronic properties of vinyl radical 145
Multipolar symmetric squaraines with large two-photon absorption cross-sections in the NIR region 145
Aiming at an accurate prediction of vibrational and electronic spectra for medium-to-large molecules: An overview 145
Vibronic Effects on Rates of Excitation Energy Transfer and Their Temperature Dependence 142
Time-Dependent Formulation of Resonance Raman Optical Activity Spectroscopy 142
Anharmonic Effects on Vibrational Spectra Intensities: Infrared, Raman, Vibrational Circular Dichroism, and Raman Optical Activity 141
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 140
Simulation of Vibronic Spectra of Flexible Systems: Hybrid DVR-Harmonic Approaches 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
On the simulation of vibrationally resolved electronic spectra of medium-size molecules: The case of styryl substituted BODIPYs 134
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 132
First principle simulation of vibrationally resolved A2 B1←X2 A1 electronic transition of phenyl radical 131
An Effective and Automated Processing of Resonances in Vibrational Perturbation Theory Applied to Spectroscopy 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
Mid-IR and CH stretching vibrational circular dichroism spectroscopy to distinguish various sources of chirality: The case of quinophaneoxazoline based ruthenium(II) complexes 129
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
Perturb-Then-Diagonalize Vibrational Engine Exploiting Curvilinear Internal Coordinates 128
Erratum: "Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution" [J. Chem. Phys. 126, 084509 (2007)] 128
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 126
Prediction of Molecular Properties for Systems of Biological Interests 125
Toward anharmonic computations of vibrational spectra for large molecular systems 124
Anharmonicity Effects in the Vibrational CD Spectra of Propylene Oxide 121
State-of-the-art computation of the rotational and IR spectra of the methyl-cyclopropyl cation: Hints on its detection in space 121
High Resolution Electronic Spectroscopy of the Anisole Dimer in a Molecular Beam: Equilibrium Structure of a Complex Stabilized by the Stacking Interaction 120
Fluorescence spectra of organic dyes in solution: a time dependent multilevel approach 116
Ultraviolet resonance Raman spectroscopy of anthracene: Experiment and theory 115
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" 113
Spectroscopic Characterization of Key Aromatic and Heterocyclic Molecules: A Route toward the Origin of Life 111
Anharmonic vibrational Raman optical activity of methyloxirane : theory and experiment pushed to the limits 108
Scaling-up VPT2: a feasible route to include anharmonic correction on large molecules 108
Harmonic and anharmonic vibrational computations for biomolecular building blocks: Benchmarking DFT and basis sets by theoretical and experimental IR spectrum of glycine conformers 104
Matrix-isolation and cryosolution-VCD spectra of α-pinene as benchmark for anharmonic vibrational spectra calculations 104
Unusual binary aggregates of perylene bisimide revealed by their electronic transitions in helium nanodroplets and DFT calculations 104
Totale 16.277
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Categoria #
all - tutte 89.864
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 89.864
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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
2025/20264.917 822 718 1.269 1.016 715 377 0 0 0 0 0 0
Totale 16.877