BLOINO, JULIEN ROLAND MICHEL
 Distribuzione geografica
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Continente #
NA - Nord America 4.441
EU - Europa 4.311
AS - Asia 1.524
SA - Sud America 237
AF - Africa 20
Continente sconosciuto - Info sul continente non disponibili 10
OC - Oceania 2
Totale 10.545
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Nazione #
US - Stati Uniti d'America 4.412
IT - Italia 1.291
IE - Irlanda 716
RU - Federazione Russa 674
SG - Singapore 592
SE - Svezia 575
CN - Cina 414
UA - Ucraina 281
DE - Germania 277
TR - Turchia 256
BR - Brasile 218
GB - Regno Unito 133
VN - Vietnam 104
FI - Finlandia 77
CH - Svizzera 74
AT - Austria 70
BE - Belgio 41
ID - Indonesia 34
FR - Francia 25
CA - Canada 22
JP - Giappone 22
PK - Pakistan 19
HK - Hong Kong 18
NL - Olanda 14
ES - Italia 12
EU - Europa 10
IR - Iran 10
IN - India 9
CZ - Repubblica Ceca 8
IQ - Iraq 7
BD - Bangladesh 6
PL - Polonia 6
RO - Romania 6
CL - Cile 5
MA - Marocco 5
NO - Norvegia 5
PT - Portogallo 5
DK - Danimarca 4
EC - Ecuador 4
KE - Kenya 4
KR - Corea 4
MX - Messico 4
UZ - Uzbekistan 4
ZA - Sudafrica 4
AR - Argentina 3
NP - Nepal 3
PE - Perù 3
TW - Taiwan 3
AD - Andorra 2
AL - Albania 2
AZ - Azerbaigian 2
HU - Ungheria 2
IL - Israele 2
JO - Giordania 2
LK - Sri Lanka 2
NG - Nigeria 2
NZ - Nuova Zelanda 2
OM - Oman 2
PA - Panama 2
SA - Arabia Saudita 2
TN - Tunisia 2
VE - Venezuela 2
AE - Emirati Arabi Uniti 1
BG - Bulgaria 1
BY - Bielorussia 1
CO - Colombia 1
CY - Cipro 1
DZ - Algeria 1
EE - Estonia 1
EG - Egitto 1
GE - Georgia 1
IM - Isola di Man 1
JM - Giamaica 1
LA - Repubblica Popolare Democratica del Laos 1
LI - Liechtenstein 1
LV - Lettonia 1
MD - Moldavia 1
ME - Montenegro 1
MK - Macedonia 1
MY - Malesia 1
PH - Filippine 1
PS - Palestinian Territory 1
PY - Paraguay 1
RS - Serbia 1
SK - Slovacchia (Repubblica Slovacca) 1
SN - Senegal 1
Totale 10.545
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Città #
Chandler 735
Dublin 716
Pisa 645
Jacksonville 548
Boardman 418
Moscow 281
Singapore 279
Ashburn 278
Wilmington 210
New York 197
Ann Arbor 188
Izmir 162
Boston 144
Scuola 140
Millbury 135
The Dalles 120
Dong Ket 103
Milan 97
Bremen 91
Istanbul 87
Lawrence 83
San Mateo 80
Vienna 66
Mestre 63
Bern 61
Ogden 61
Woodbridge 56
Washington 51
Voghera 46
Beijing 41
Guangzhou 40
Santa Clara 40
Brussels 39
Düsseldorf 36
Seattle 36
San Paolo di Civitate 35
Jakarta 34
Council Bluffs 32
Princeton 31
Helsinki 29
Shanghai 23
Wuhan 23
Dearborn 20
Cesano Boscone 19
Falls Church 17
Los Angeles 17
Tokyo 17
Las Vegas 15
Livorno 15
Berlin 14
São Paulo 14
Fairfield 13
Hong Kong 13
Padova 13
Redmond 13
Saint Petersburg 13
Chicago 12
Hefei 11
North Bergen 11
Stuttgart 11
Toronto 11
Jiaxing 10
Kunming 10
Munich 10
Nuremberg 10
Rome 10
Jinan 9
Lahore 9
London 9
Nanjing 9
Madrid 8
Merced 8
San Giuliano Terme 7
Wuxi 7
Bologna 6
Brescia 6
Chengdu 6
Edinburgh 6
Houston 6
Irkutsk 6
Lucca 6
Norwalk 6
Rio de Janeiro 6
Shenzhen 6
Amsterdam 5
Belo Horizonte 5
Busto Arsizio 5
Hangzhou 5
Kocaeli 5
Meldola 5
Paris 5
San Diego 5
Yiwu 5
Zurich 5
Andover 4
Baghdad 4
Brasília 4
Bucharest 4
Cambridge 4
Campinas 4
Totale 7.099
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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 224
Rotational and Infrared Spectroscopy of Ethanimine: A Route toward Its Astrophysical and Planetary Detection 182
Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane 178
General formulation of vibronic spectroscopy in internal coordinates 164
An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane 158
A general time-dependent route to Resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects 153
Environmental and dynamical effects on the optical properties of molecular systems by time-independent and time-dependent approaches: Coumarin derivatives as test cases 151
Stereoelectronic, Vibrational, and Environmental Contributions to Polarizabilities of Large Molecular Systems: A Feasible Anharmonic Protocol 149
Interplay of stereo-electronic, vibronic and environmental effects in tuning the chiroptical properties of an Ir(III) cyclometalated N-heterocyclic carbene 148
Development of a Virtual Spectrometer for Chiroptical Spectroscopies: The Case of Nicotine 147
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 147
Accurate ground and excited state studies for molecular systems of biological interest. 141
New developments of a multifrequency virtual spectrometer: stereo-electronic, dynamical, and environmental effects on chiroptical spectra 139
General Time Dependent Approach to Vibronic Spectroscopy Including Franck–Condon, Herzberg–Teller, and Duschinsky Effects 137
General Perturb-Then-Diagonalize Model for the Vibrational Frequencies and Intensities of Molecules Belonging to Abelian and Non-Abelian Symmetry Groups 135
A Modern-Fortran Program for Chemical Kinetics on Top of Anharmonic Vibrational Calculations 134
Accurate Quantum Chemical Spectroscopic Characterization of Glycolic Acid: A Route Toward its Astrophysical Detection 131
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) 130
ORG/CTC-KN-01 Bridging the Gap between Theory and Experiment: Modeling Chiroptical Properties and Spectroscopies 130
Harmonic and anharmonic vibrational frequency calculations with the double-hybrid B2PLYP method. Analytic second derivatives and benchmark studies 129
A fully automated implementation of VPT2 infrared intensities 128
Accurate rest frequencies for propargylamine in the ground and low-lying vibrational states 128
Synthesis and Optical Properties of Imidazole-Based Fluorophores having High Quantum Yields 127
General perturbative approach for spectroscopy, thermodynamics and kinetics: methodological background and benchmark studies 126
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 126
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 123
Vibrational circular dichroism under the quantum magnifying glass: from the electronic flow to the spectroscopic observable 119
Ferrocenes with simple chiral substituents: An in-depth theoretical and experimental VCD and ECD study 119
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) 117
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 116
Absorption and Emission UV-Vis spectra of the TRITC fluorophore molecule in solution: a quantum mechanical study 115
Benchmarking TD-DFT against vibrationally resolved absorption spectra at room temperature: 7-aminocoumarins as test cases 114
Validation of the DFT/N07D computational model on the magnetic, vibrational and electronic properties of vinyl radical 113
Implementation and validation of a multi-purpose virtual spectrophotometer for large systems in complex environments 112
The Italian National Project of Astrobiology - Life in Space - Origin, Presence, Persistence of Life in Space, from Molecules to Extremophiles 112
Simulation of theoretical IR spectra for complex molecular systems from vibrational perturbative approaches: glycine as a test case 111
Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route 111
Accurate Simulation of Resonance-Raman Spectra of Flexible Molecules: An Internal Coordinates Approach 109
Accuracy and Interpretability: The Devil and the Holy Grail. New Routes across Old Boundaries in Computational Spectroscopy 109
Accurate structure, thermodynamics, and spectroscopy of medium-sized radicals by hybrid coupled cluster/density functional theory approaches: The case of phenyl radical 109
Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution 108
Toward ab-initio Anharmonic Vibrational Circular Dichroism Spectra in Condensed Phase 108
Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: Pyrimidine as a test case 106
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 106
ACCURATE SPECTROSCOPIC CHARACTERIZATION OF OXIRANE: A VALUABLE ROUTE TO ITS IDENTIFICATION IN TITAN'S ATMOSPHERE AND THE ASSIGNMENT OF UNIDENTIFIED INFRARED BANDS 104
Reliable vibrational wavenumbers for C=O and N-H stretchings of isolated and hydrogen-bonded nucleic acid bases 104
Multipolar symmetric squaraines with large two-photon absorption cross-sections in the NIR region 103
Aiming at an accurate prediction of vibrational and electronic spectra for medium-to-large molecules: An overview 103
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 102
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)] 102
A VPT2 route to near-infrared spectroscopy: The role of mechanical and electrical anharmonicity 102
Computational simulation of vibrationally resolved spectra for spin-forbidden transitions 102
Unraveling the internal conversion process within the Q-bands of a chlorophyll-like-system through surface-hopping molecular dynamics simulations 102
Towards and Accurate Description of Anharmonic Infrared Spectra in Solution within the Polarizable Continuum Model: Reaction Field, Cavity Field and Nonequilibrium Effects 101
Anharmonic Effects on Vibrational Spectra Intensities: Infrared, Raman, Vibrational Circular Dichroism, and Raman Optical Activity 101
Toward an Accurate Modeling of Optical Rotation for Solvated Systems: Anharmonic Vibrational Contributions Coupled to the Polarizable Continuum Model 100
Toward the design of alkynylimidazole fluorophores: computational and experimental characterization of spectroscopic features in solution and in poly(methyl methacrylate) 99
Computational challenges in Astrochemistry 99
General approach to compute vibrationally resolved one-photon electronic spectra 97
Integrated computational approach to vibrationally resolved electronic spectra: anisole as a test case 96
Chapter 8. Time-independent Approaches to Simulate Electronic Spectra Lineshapes: From Small Molecules to Macrosystems 96
Tuning of NMR and EPR parameters by vibrational averaging and environmental effects: an integrated computational approach 96
Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems 95
Erratum: "Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution" [J. Chem. Phys. 126, 084509 (2007)] 95
Prediction of Molecular Properties for Systems of Biological Interests 95
Temperature Dependence of Radiative and Nonradiative Rates from Time-Dependent Correlation Function Methods 95
First principle simulation of vibrationally resolved A2 B1←X2 A1 electronic transition of phenyl radical 93
Theoretical multilevel approach for studying the photophysical properties of organic dyes in solution 93
High Resolution Electronic Spectroscopy of the Anisole Dimer in a Molecular Beam: Equilibrium Structure of a Complex Stabilized by the Stacking Interaction 93
A Multifrequency Virtual Spectrometer for Complex Bio-Organic Systems: Vibronic and Environmental Effects on the UV/Vis Spectrum of Chlorophyll a 93
Accurate yet feasible computations of resonance Raman spectra for metal complexes in solution: [Ru(bpy)3]2+ as a case study 93
Fully anharmonic IR and Raman spectra of medium-size molecular systems: Accuracy and interpretation 93
Modulation of π character upon complexation captured by molecular rotation spectra 93
Toward anharmonic computations of vibrational spectra for large molecular systems 92
Reliable Structural, Thermodynamic, and Spectroscopic Properties of Organic Molecules Adsorbed on Silicon Surfaces from Computational Modeling: the Case of Glycine@Si(100) 91
Simulation of Vibronic Spectra of Flexible Systems: Hybrid DVR-Harmonic Approaches 90
Theoretical Investigation of the Circularly Polarized Luminescence of a Chiral Boron Dipyrromethene (BODIPY) Dye 90
Vibronic Effects on Rates of Excitation Energy Transfer and Their Temperature Dependence 89
Anharmonicity Effects in the Vibrational CD Spectra of Propylene Oxide 87
Vibronic coupling investigation to compute phosphorescence spectra of Pt(II) complexes 87
Fluorescence spectra of organic dyes in solution: a time dependent multilevel approach 86
Time-Dependent Formulation of Resonance Raman Optical Activity Spectroscopy 84
Noncovalent Interactions in the Gas Phase: The Anisole–Phenol Complex 83
CC/DFT Route toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study 82
State-of-the-art computation of the rotational and IR spectra of the methyl-cyclopropyl cation: Hints on its detection in space 81
Role of specific solute-solvent interactions on the photophysical properties of distyryl substituted BODIPY derivatives 80
Circular dichroism and optical rotation of lactamide and 2-aminopropanol in aqueous solution 80
Ultraviolet resonance Raman spectroscopy of anthracene: Experiment and theory 76
Accounting for Molecular Flexibility in Photoionization: Case of tert-Butyl Hydroperoxide 76
An Effective and Automated Processing of Resonances in Vibrational Perturbation Theory Applied to Spectroscopy 66
Perturb-Then-Diagonalize Vibrational Engine Exploiting Curvilinear Internal Coordinates 66
On the simulation of vibrationally resolved electronic spectra of medium-size molecules: The case of styryl substituted BODIPYs 65
Unusual binary aggregates of perylene bisimide revealed by their electronic transitions in helium nanodroplets and DFT calculations 61
Spectroscopic Characterization of Key Aromatic and Heterocyclic Molecules: A Route toward the Origin of Life 55
The vibrational CD spectra of propylene oxide in liquid xenon: a proof-of-principle CryoVCD study that challenges theory 54
Anharmonic vibrational Raman optical activity of methyloxirane : theory and experiment pushed to the limits 53
Matrix-isolation and cryosolution-VCD spectra of α-pinene as benchmark for anharmonic vibrational spectra calculations 50
Scissor-like Face to Face π-πStacking : A Surprising Preference Induced by the Isocyano Group in the Self-Assembled Dimer of Phenyl Isocyanide 46
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" 43
Scaling-up VPT2: a feasible route to include anharmonic correction on large molecules 41
Totale 10.573
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Categoria #
all - tutte 58.767
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 58.767
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020130 0 0 0 0 0 0 0 0 0 16 107 7
2020/20211.120 93 31 137 20 93 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
2024/20252.700 173 81 150 249 503 114 120 217 877 216 0 0
Totale 10.785