BLOINO, JULIEN ROLAND MICHEL
 Distribuzione geografica
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Continente #
NA - Nord America 4.243
EU - Europa 3.562
AS - Asia 1.245
SA - Sud America 55
Continente sconosciuto - Info sul continente non disponibili 10
AF - Africa 6
OC - Oceania 2
Totale 9.123
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Nazione #
US - Stati Uniti d'America 4.218
IT - Italia 1.219
IE - Irlanda 716
SE - Svezia 575
CN - Cina 413
SG - Singapore 354
UA - Ucraina 274
DE - Germania 266
TR - Turchia 256
GB - Regno Unito 133
VN - Vietnam 103
FI - Finlandia 77
CH - Svizzera 74
AT - Austria 63
BR - Brasile 47
BE - Belgio 41
RU - Federazione Russa 35
ID - Indonesia 34
FR - Francia 25
CA - Canada 22
JP - Giappone 20
PK - Pakistan 16
EU - Europa 10
IR - Iran 10
ES - Italia 9
IN - India 9
CZ - Repubblica Ceca 8
NL - Olanda 8
PL - Polonia 6
NO - Norvegia 5
PT - Portogallo 5
RO - Romania 5
BD - Bangladesh 4
CL - Cile 4
DK - Danimarca 4
HK - Hong Kong 4
KR - Corea 4
TW - Taiwan 3
AD - Andorra 2
AZ - Azerbaigian 2
HU - Ungheria 2
IL - Israele 2
NG - Nigeria 2
NZ - Nuova Zelanda 2
PE - Perù 2
SA - Arabia Saudita 2
ZA - Sudafrica 2
AE - Emirati Arabi Uniti 1
AL - Albania 1
BG - Bulgaria 1
CO - Colombia 1
CY - Cipro 1
EC - Ecuador 1
EE - Estonia 1
EG - Egitto 1
IM - Isola di Man 1
JM - Giamaica 1
JO - Giordania 1
KE - Kenya 1
LA - Repubblica Popolare Democratica del Laos 1
LI - Liechtenstein 1
LK - Sri Lanka 1
LV - Lettonia 1
MD - Moldavia 1
ME - Montenegro 1
MX - Messico 1
MY - Malesia 1
OM - Oman 1
PA - Panama 1
PH - Filippine 1
RS - Serbia 1
SK - Slovacchia (Repubblica Slovacca) 1
UZ - Uzbekistan 1
Totale 9.123
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Città #
Chandler 735
Dublin 716
Pisa 643
Jacksonville 548
Boardman 418
Ashburn 277
Singapore 273
Wilmington 210
New York 197
Ann Arbor 188
Izmir 162
Boston 144
Scuola 140
Millbury 135
Dong Ket 103
Bremen 91
Istanbul 87
Lawrence 83
Milan 80
San Mateo 80
Mestre 63
Vienna 63
Bern 61
Ogden 61
Woodbridge 56
Washington 51
Voghera 46
Beijing 41
Guangzhou 40
Brussels 39
Düsseldorf 36
Santa Clara 36
Seattle 36
San Paolo di Civitate 35
Jakarta 34
Princeton 31
Helsinki 29
Shanghai 23
Wuhan 23
Dearborn 20
Falls Church 17
Las Vegas 15
Tokyo 15
Berlin 14
Los Angeles 14
Fairfield 13
Redmond 13
Saint Petersburg 13
Chicago 11
Hefei 11
Stuttgart 11
Toronto 11
Jiaxing 10
Kunming 10
Munich 10
Padova 10
Jinan 9
Lahore 9
London 9
Nanjing 9
Merced 8
Rome 8
San Giuliano Terme 7
Wuxi 7
Bologna 6
Brescia 6
Chengdu 6
Edinburgh 6
Houston 6
Irkutsk 6
Norwalk 6
Shenzhen 6
Busto Arsizio 5
Hangzhou 5
Kocaeli 5
Madrid 5
Meldola 5
Paris 5
San Diego 5
São Paulo 5
Yiwu 5
Zurich 5
Andover 4
Bucharest 4
Cambridge 4
Coimbra 4
Dallas 4
Florence 4
Islamabad 4
Montreal 4
Naples 4
Oristano 4
Ottawa 4
Prague 4
Redwood City 4
San Francisco 4
Stockholm 4
Trento 4
Tromsø 4
Warsaw 4
Totale 6.568
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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 204
Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane 162
Rotational and Infrared Spectroscopy of Ethanimine: A Route toward Its Astrophysical and Planetary Detection 159
General formulation of vibronic spectroscopy in internal coordinates 150
An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane 145
A general time-dependent route to Resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects 143
Stereoelectronic, Vibrational, and Environmental Contributions to Polarizabilities of Large Molecular Systems: A Feasible Anharmonic Protocol 141
Environmental and dynamical effects on the optical properties of molecular systems by time-independent and time-dependent approaches: Coumarin derivatives as test cases 138
Development of a Virtual Spectrometer for Chiroptical Spectroscopies: The Case of Nicotine 133
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 133
Interplay of stereo-electronic, vibronic and environmental effects in tuning the chiroptical properties of an Ir(III) cyclometalated N-heterocyclic carbene 125
General Time Dependent Approach to Vibronic Spectroscopy Including Franck–Condon, Herzberg–Teller, and Duschinsky Effects 125
New developments of a multifrequency virtual spectrometer: stereo-electronic, dynamical, and environmental effects on chiroptical spectra 124
Synthesis and Optical Properties of Imidazole-Based Fluorophores having High Quantum Yields 122
Harmonic and anharmonic vibrational frequency calculations with the double-hybrid B2PLYP method. Analytic second derivatives and benchmark studies 119
General perturbative approach for spectroscopy, thermodynamics and kinetics: methodological background and benchmark studies 118
Accurate ground and excited state studies for molecular systems of biological interest. 118
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 116
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 113
Accurate rest frequencies for propargylamine in the ground and low-lying vibrational states 112
A Modern-Fortran Program for Chemical Kinetics on Top of Anharmonic Vibrational Calculations 111
ORG/CTC-KN-01 Bridging the Gap between Theory and Experiment: Modeling Chiroptical Properties and Spectroscopies 111
A fully automated implementation of VPT2 infrared intensities 110
Benchmarking TD-DFT against vibrationally resolved absorption spectra at room temperature: 7-aminocoumarins as test cases 107
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 106
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) 106
Validation of the DFT/N07D computational model on the magnetic, vibrational and electronic properties of vinyl radical 105
Ferrocenes with simple chiral substituents: An in-depth theoretical and experimental VCD and ECD study 105
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) 104
Toward ab-initio Anharmonic Vibrational Circular Dichroism Spectra in Condensed Phase 103
Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution 102
Simulation of theoretical IR spectra for complex molecular systems from vibrational perturbative approaches: glycine as a test case 102
Absorption and Emission UV-Vis spectra of the TRITC fluorophore molecule in solution: a quantum mechanical study 98
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 97
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)] 97
Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: Pyrimidine as a test case 97
Vibrational circular dichroism under the quantum magnifying glass: from the electronic flow to the spectroscopic observable 97
Multipolar symmetric squaraines with large two-photon absorption cross-sections in the NIR region 96
Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route 96
Anharmonic Effects on Vibrational Spectra Intensities: Infrared, Raman, Vibrational Circular Dichroism, and Raman Optical Activity 96
Towards and Accurate Description of Anharmonic Infrared Spectra in Solution within the Polarizable Continuum Model: Reaction Field, Cavity Field and Nonequilibrium Effects 95
Implementation and validation of a multi-purpose virtual spectrophotometer for large systems in complex environments 95
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 94
The Italian National Project of Astrobiology - Life in Space - Origin, Presence, Persistence of Life in Space, from Molecules to Extremophiles 94
ACCURATE SPECTROSCOPIC CHARACTERIZATION OF OXIRANE: A VALUABLE ROUTE TO ITS IDENTIFICATION IN TITAN'S ATMOSPHERE AND THE ASSIGNMENT OF UNIDENTIFIED INFRARED BANDS 93
Aiming at an accurate prediction of vibrational and electronic spectra for medium-to-large molecules: An overview 93
Accurate Simulation of Resonance-Raman Spectra of Flexible Molecules: An Internal Coordinates Approach 93
General Perturb-Then-Diagonalize Model for the Vibrational Frequencies and Intensities of Molecules Belonging to Abelian and Non-Abelian Symmetry Groups 93
Integrated computational approach to vibrationally resolved electronic spectra: anisole as a test case 92
Accuracy and Interpretability: The Devil and the Holy Grail. New Routes across Old Boundaries in Computational Spectroscopy 92
Chapter 8. Time-independent Approaches to Simulate Electronic Spectra Lineshapes: From Small Molecules to Macrosystems 91
General approach to compute vibrationally resolved one-photon electronic spectra 91
Accurate structure, thermodynamics, and spectroscopy of medium-sized radicals by hybrid coupled cluster/density functional theory approaches: The case of phenyl radical 91
Accurate Quantum Chemical Spectroscopic Characterization of Glycolic Acid: A Route Toward its Astrophysical Detection 91
Tuning of NMR and EPR parameters by vibrational averaging and environmental effects: an integrated computational approach 90
Toward an Accurate Modeling of Optical Rotation for Solvated Systems: Anharmonic Vibrational Contributions Coupled to the Polarizable Continuum Model 88
Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems 88
A VPT2 route to near-infrared spectroscopy: The role of mechanical and electrical anharmonicity 88
First principle simulation of vibrationally resolved A2 B1←X2 A1 electronic transition of phenyl radical 87
Theoretical multilevel approach for studying the photophysical properties of organic dyes in solution 87
Toward anharmonic computations of vibrational spectra for large molecular systems 87
Computational simulation of vibrationally resolved spectra for spin-forbidden transitions 87
Unraveling the internal conversion process within the Q-bands of a chlorophyll-like-system through surface-hopping molecular dynamics simulations 87
Reliable vibrational wavenumbers for C=O and N-H stretchings of isolated and hydrogen-bonded nucleic acid bases 85
Reliable Structural, Thermodynamic, and Spectroscopic Properties of Organic Molecules Adsorbed on Silicon Surfaces from Computational Modeling: the Case of Glycine@Si(100) 84
Erratum: "Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution" [J. Chem. Phys. 126, 084509 (2007)] 84
Computational challenges in Astrochemistry 84
Prediction of Molecular Properties for Systems of Biological Interests 84
Modulation of π character upon complexation captured by molecular rotation spectra 83
Temperature Dependence of Radiative and Nonradiative Rates from Time-Dependent Correlation Function Methods 83
High Resolution Electronic Spectroscopy of the Anisole Dimer in a Molecular Beam: Equilibrium Structure of a Complex Stabilized by the Stacking Interaction 82
Fluorescence spectra of organic dyes in solution: a time dependent multilevel approach 82
Vibronic Effects on Rates of Excitation Energy Transfer and Their Temperature Dependence 82
Theoretical Investigation of the Circularly Polarized Luminescence of a Chiral Boron Dipyrromethene (BODIPY) Dye 82
Toward the design of alkynylimidazole fluorophores: computational and experimental characterization of spectroscopic features in solution and in poly(methyl methacrylate) 81
Noncovalent Interactions in the Gas Phase: The Anisole–Phenol Complex 79
Anharmonicity Effects in the Vibrational CD Spectra of Propylene Oxide 78
Fully anharmonic IR and Raman spectra of medium-size molecular systems: Accuracy and interpretation 78
Simulation of Vibronic Spectra of Flexible Systems: Hybrid DVR-Harmonic Approaches 76
Accurate yet feasible computations of resonance Raman spectra for metal complexes in solution: [Ru(bpy)3]2+ as a case study 76
State-of-the-art computation of the rotational and IR spectra of the methyl-cyclopropyl cation: Hints on its detection in space 73
A Multifrequency Virtual Spectrometer for Complex Bio-Organic Systems: Vibronic and Environmental Effects on the UV/Vis Spectrum of Chlorophyll a 73
Time-Dependent Formulation of Resonance Raman Optical Activity Spectroscopy 72
Vibronic coupling investigation to compute phosphorescence spectra of Pt(II) complexes 70
Role of specific solute-solvent interactions on the photophysical properties of distyryl substituted BODIPY derivatives 68
CC/DFT Route toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study 67
Circular dichroism and optical rotation of lactamide and 2-aminopropanol in aqueous solution 67
Ultraviolet resonance Raman spectroscopy of anthracene: Experiment and theory 63
On the simulation of vibrationally resolved electronic spectra of medium-size molecules: The case of styryl substituted BODIPYs 62
Accounting for Molecular Flexibility in Photoionization: Case of tert-Butyl Hydroperoxide 60
Unusual binary aggregates of perylene bisimide revealed by their electronic transitions in helium nanodroplets and DFT calculations 52
The vibrational CD spectra of propylene oxide in liquid xenon: a proof-of-principle CryoVCD study that challenges theory 47
Spectroscopic Characterization of Key Aromatic and Heterocyclic Molecules: A Route toward the Origin of Life 45
An Effective and Automated Processing of Resonances in Vibrational Perturbation Theory Applied to Spectroscopy 40
Matrix-isolation and cryosolution-VCD spectra of α-pinene as benchmark for anharmonic vibrational spectra calculations 34
Anharmonic vibrational Raman optical activity of methyloxirane : theory and experiment pushed to the limits 33
Perturb-Then-Diagonalize Vibrational Engine Exploiting Curvilinear Internal Coordinates 30
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Scissor-like Face to Face π-πStacking : A Surprising Preference Induced by the Isocyano Group in the Self-Assembled Dimer of Phenyl Isocyanide 27
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Totale 9.250
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Categoria #
all - tutte 49.277
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 49.277
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020365 0 0 0 0 0 17 123 25 70 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
2024/20251.270 173 81 150 249 503 114 0 0 0 0 0 0
Totale 9.355