CNR Institutional Research Information System

PRAMPOLINI, GIACOMO
 Distribuzione geografica
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Continente #
AS - Asia 2.440
EU - Europa 1.400
NA - Nord America 1.270
SA - Sud America 407
AF - Africa 42
OC - Oceania 4
Totale 5.563
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Nazione #
US - Stati Uniti d'America 1.208
SG - Singapore 1.068
RU - Federazione Russa 655
CN - Cina 613
IT - Italia 346
BR - Brasile 336
VN - Vietnam 225
HK - Hong Kong 221
FR - Francia 142
KR - Corea 106
DE - Germania 52
NL - Olanda 41
GB - Regno Unito 38
FI - Finlandia 37
IN - India 36
JP - Giappone 33
AR - Argentina 30
CA - Canada 30
BD - Bangladesh 18
ES - Italia 18
AT - Austria 17
ID - Indonesia 17
IL - Israele 16
EC - Ecuador 15
MX - Messico 14
IQ - Iraq 11
SA - Arabia Saudita 11
TR - Turchia 11
EG - Egitto 9
PL - Polonia 8
VE - Venezuela 8
PK - Pakistan 7
ZA - Sudafrica 7
CL - Cile 6
CO - Colombia 6
IE - Irlanda 6
MA - Marocco 6
UZ - Uzbekistan 6
BE - Belgio 5
JO - Giordania 5
LT - Lituania 5
UA - Ucraina 5
CH - Svizzera 4
KZ - Kazakistan 4
PH - Filippine 4
AU - Australia 3
DZ - Algeria 3
EE - Estonia 3
JM - Giamaica 3
KW - Kuwait 3
OM - Oman 3
SE - Svezia 3
TN - Tunisia 3
TT - Trinidad e Tobago 3
UY - Uruguay 3
AE - Emirati Arabi Uniti 2
AZ - Azerbaigian 2
BA - Bosnia-Erzegovina 2
BB - Barbados 2
GE - Georgia 2
GH - Ghana 2
GR - Grecia 2
GT - Guatemala 2
KG - Kirghizistan 2
LB - Libano 2
LK - Sri Lanka 2
LV - Lettonia 2
NP - Nepal 2
PR - Porto Rico 2
PS - Palestinian Territory 2
PY - Paraguay 2
AL - Albania 1
BH - Bahrain 1
BW - Botswana 1
CI - Costa d'Avorio 1
CR - Costa Rica 1
CV - Capo Verde 1
CZ - Repubblica Ceca 1
DO - Repubblica Dominicana 1
GA - Gabon 1
GN - Guinea 1
HN - Honduras 1
HR - Croazia 1
KH - Cambogia 1
LC - Santa Lucia 1
LU - Lussemburgo 1
MM - Myanmar 1
MN - Mongolia 1
MR - Mauritania 1
NA - Namibia 1
NE - Niger 1
NI - Nicaragua 1
NO - Norvegia 1
NZ - Nuova Zelanda 1
PA - Panama 1
PT - Portogallo 1
RO - Romania 1
RW - Ruanda 1
SD - Sudan 1
SI - Slovenia 1
Totale 5.557
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Città #
Singapore 595
Santa Clara 543
Hefei 290
Hong Kong 215
San Jose 122
Lauterbourg 119
Beijing 111
Seoul 105
Ashburn 77
Ho Chi Minh City 75
Hanoi 53
Dallas 45
Los Angeles 35
Pisa 26
Frankfurt am Main 23
New York 23
São Paulo 22
Lappeenranta 21
Buffalo 18
Florence 17
Guangzhou 17
Helsinki 16
Council Bluffs 14
Minamishinagawa 14
Orem 14
Tokyo 14
Rio de Janeiro 12
Haiphong 11
Belo Horizonte 10
Bengaluru 10
Cascina 10
London 10
Modena 10
Nuremberg 10
Chennai 9
Livorno 9
Vienna 9
Atlanta 8
Curitiba 8
Madrid 8
Biên Hòa 7
Brasília 7
Da Nang 7
Bologna 6
Guayaquil 6
Montreal 6
Tashkent 6
Vĩnh Long 6
Amman 5
Brooklyn 5
Brussels 5
Dublin 5
Düsseldorf 5
Jeddah 5
Manchester 5
Milan 5
Philadelphia 5
Portsmouth 5
Rome 5
Warsaw 5
Amsterdam 4
Aracaju 4
Caracas 4
Caxias do Sul 4
City of London 4
Elk Grove Village 4
Hải Dương 4
Jakarta 4
Johannesburg 4
Mumbai 4
Ninh Bình 4
Paris 4
Pelotas 4
Quận Bình Thạnh 4
Riyadh 4
San Francisco 4
Shanghai 4
Sumaré 4
São José dos Campos 4
Toronto 4
Zurich 4
Baghdad 3
Bandung 3
Bogotá 3
Buenos Aires 3
Bắc Ninh 3
Campinas 3
Cape Town 3
Chicago 3
Contagem 3
Denver 3
Dhaka 3
Fortaleza 3
Kuwait City 3
Manaus 3
Manta 3
Maricá 3
Ottawa 3
Petrópolis 3
Piracicaba 3
Totale 3.010
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Nome #
Modelling the role of internal flexibility and inter-state couplings modulated by an explicit environment in the absorption spectrum of coelenteramide 732
A Portrait of the Chromophore as a Young System—Quantum-Derived Force Field Unraveling Solvent Reorganization upon Optical Excitation of Cyclocurcumin Derivatives 92
Solvent effects on catechol's binding affinity: investigating the role of the intra-molecular hydrogen bond through a computational multi-level approach 90
Absorption and emission spectra of fluorescent silica nanoparticles from TD-DFT/MM/PCM calculations 89
Automated Parameterization of Quantum Mechanically Derived Force Fields for Soft Materials and Complex Fluids: Development and Validation 84
JOYCE3.0: A General Protocol for the Specific Parametrization of Accurate Intramolecular Quantum Mechanically Derived Force Fields 73
Predicting Spontaneous Orientational Self-Assembly: In Silico Design of Materials with Quantum Mechanically Derived Force Fields 72
Assessing alkyl side chain effects on electron transport properties of Y6-derived non-fullerene acceptors 71
Eumelanin broadband absorption develops from aggregation-modulated chromophore interactions under structural and redox control 69
Exciton Binding Energy in Molecular Triads 67
DNA Hybridization Mechanism on Silicon Nanowires: a Molecular Dynamics Approach 66
Explicit Modelling of Spectral Bandshapes by a Mixed Quantum-Classical Approach: Solvent Order and Temperature Effects in the Optical Spectra of Distyrylbenzene 66
Non-adiabatic direct quantum dynamics using force fields: Toward solvation 66
Molecular Dynamics Simulations of the Self-Assembly of Tetraphenylporphyrin-Based Monolayers and Bilayers at a Silver Interface 65
The phenoxyl group-modulated interplay of cation–π and σ-type interactions in the alkali metal series 63
Benchmarking Cation−π Interactions: Assessment of Density Functional Theory and Möller–Plesset Second-Order Perturbation Theory Calculations with Optimized Basis Sets (mp2mod) for Complexes of Benzene, Phenol, and Catechol with Na+, K+, Rb+, and Cs+ 62
Molecular Tribology: Chemically Engineering Energy Dissipation at the Nanoscale 61
Non-Phenomenological Description of the Time-Resolved Emission in Solution with Quantum-Classical Vibronic Approaches--Application to Coumarin C153 in Methanol 61
Modified virtual orbitals for CI calculations of energy splitting in organic diradicals 60
Integrated Quantum-Classical Protocol for the Realistic Description of Solvated Multinuclear Mixed-Valence Transition-Metal Complexes and Their Solvatochromic Properties 60
Tautomeric contributions to the absorption spectrum of [2,2'-bipyridyl]-3,3'-diol in water unveiled by molecular dynamics with accurate quantum mechanically derived force-fields 59
Short- and Long-Range Solvation Effects on the Transient UV-Vis Absorption Spectra of a Ru(II)-Polypyridine Complex Disentangled by Nonequilibrium Molecular Dynamics 57
Intermolecular force fields of large molecules by the fragmentation reconstruction method (FRM): Application to a nematic liquid crystal 55
An Integrated Protocol for the Accurate Calculation of Magnetic Interactions in Organic Magnets 55
Complexes of Alkaline and Ammonium Cations with Dopamine and Eumelanin Precursors: Dissecting the Role of Noncovalent Cation-pi and Cation-Lone Pair (sigma-Type) Interactions 55
Dissecting the nature and dynamics of electronic excitations in a solid-state aggregate of a representative non-fullerene acceptor 52
Dynamic effects on the nonlinear optical properties of donor acceptor stenhouse adducts: insights from combined MD + QM simulations 51
Accounting for Vibronic Features through a Mixed Quantum-Classical Scheme: Structure, Dynamics, and Absorption Spectra of a Perylene Diimide Dye in Solution 51
Adiabatic-Molecular Dynamics Generalized Vertical Hessian Approach: A Mixed Quantum Classical Method to Compute Electronic Spectra of Flexible Molecules in the Condensed Phase 50
Noncovalent interactions in catechol/ammonium-rich adhesive motifs: Reassessing the role of cation-pi complexes? 49
Fluorescence spectra of organic dyes in solution: a time dependent multilevel approach 49
Flexible Superlubricity Unveiled in Sidewinding Motion of Individual Polymeric Chains 49
Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: pyrimidine as a test case 48
Magnetic gaps in organic tri-radicals: From a simple model to accurate estimates 47
Accurate Quantum-Mechanically Derived Force-Fields through a Fragment-Based Approach: Balancing Specificity and Transferability in the Prediction of Self-Assembly in Soft Matter 47
On-Surface Synthesis and Cryogenic Exfoliation of Sterically Frustrated Atropisomers 47
Unraveling the contributions to the spectral shape of flexible dyes in solution: insights on the absorption spectrum of an oxyluciferin analogue 46
Quantitative prediction and interpretation of spin energy gaps in polyradicals: The virtual magnetic balance 45
Phonon interference in single-molecule junctions 45
Deciphering the Luminescence Spectral Shape of an Oxyluciferin Analogue through a Mixed Quantum-Classical Approach 44
Density functional theory study of the conformational space of phenyl benzoate, a common fragment in many mesogenic molecules 43
How the Interplay among Conformational Disorder, Solvation, Local, and Charge-Transfer Excitations Affects the Absorption Spectrum and Photoinduced Dynamics of Perylene Diimide Dimers: A Molecular Dynamics/Quantum Vibronic Approach 43
Temperature effects on the conformational dynamics and nonlinear optical properties of donor–acceptor Stenhouse adducts in chloroform solution 43
Proton and electron transfer mechanisms in the formation of neutral and charged quinhydrone-like complexes: A multilayered computational study 43
Modeling Solvent Broadening on the Vibronic Spectra of a Series of Coumarin Dyes. From Implicit to Explicit Solvent Models 43
Structure-Properties Relationships in Triplet Ground State Organic Diradicals: A Computational Study 43
Unraveling the interplay of different contributions to the stability of the quinhydrone dimer 42
Computational Design, Synthesis, and Mechanochromic Properties of New Thiophene-Based pi-Conjugated Chromophores 42
Anticooperative self-assembly of perylene diimide dyes in water unveiled by advanced molecular dynamics simulations 42
BALOO: A Fast and Versatile Code for Accurate Multireference Variational/Perturbative Calculations 41
The Role of Non-Covalent Interactions on Cluster Formation: Pentamer, Hexamers and Heptamer of Difluoromethane 40
Theoretical Study of the Conformational and Optical Properties of a Fluorescent Sensor Grafted on Apolar Polymer Structures 40
Singlet-triplet energy gap of a diarylnitroxide diradical by an accurate many-body perturbative approach 39
Conformational Effects on the Magnetic Properties of an Organic Diradical: A Computational Study 39
Intermolecular interactions in eumelanins: a computational bottom-up approach. I. small building blocks 39
Predicting light absorption properties of anthocyanidins in solution: a multi-level computational approach 39
Noncovalent Interactions in the Catechol Dimer 39
A Set of Quantum-Mechanically Derived Force Fields for Natural and Synthetic Retinal Photoswitches 39
Perturbative Multireference Configuration Interaction (CI-MRPT2) Calculations in a Focused Dynamical Approach: A Computational Study of Solvatochromism in Pyrimidine 39
Realistic Modeling of Fluorescent Dye-Doped Silica Nanoparticles: A Step Toward the Understanding of their Enhanced Photophysical Properties 38
Sequential Bending and Twisting around C-C Single Bonds by Mechanical Lifting of a Pre-Adsorbed Polymer 38
Organic Functionalization and Optimal Coverage of a Silicon(111) Surface in Solvent: A Computational Study 38
Solvent effects on the second harmonic responses of donor–acceptor Stenhouse adducts: from implicit to hybrid solvation models 37
Complementary and partially complementary DNA duplexes tethered to a functionalized substrate: a molecular dynamics approach to biosensing 37
Interactions of Nucleotide Bases with Decorated Si Surfaces from Molecular Dynamics Simulations 37
Dynamical and Environmental Effects on the Optical Properties of an Heteroleptic Ru(II)-Polypyridine Complex: A Multilevel Approach Combining Accurate Ground and Excited State QM-Derived Force Fields, MD and TD-DFT 36
Automated parameterization of quantum-mechanically derived force-fields including explicit sigma holes: A pathway to energetic and structural features of halogen bonds in gas and condensed phase 35
Computer simulation of mesogens with ab initio interaction potentials - An application to oligophenyls 34
An automated approach for the parameterization of accurate intermolecular force-fields: Pyridine as a case study 32
Accuracy of Quantum Mechanically Derived Force-Fields Parameterized from Dispersion-Corrected DFT Data: The Benzene Dimer as a Prototype for Aromatic Interactions 32
Structure and dynamics of ferrocyanide and ferricyanide anions in water and heavy water: An insight by MD simulations and 2D IR spectroscopy 32
Accurate yet feasible post-Hartree-Fock computation of magnetic interactions in large biradicals through a combined variational/perturbative approach: Setup and validation 31
Subdiffusive dynamics of a liquid crystal in the isotropic phase 30
Iron's Wake: The Performance of Quantum Mechanical-Derived Versus General-Purpose Force Fields Tested on a Luminescent Iron Complex 30
Deuterium and carbon-13 NMR study of a banana mesogen: Molecular structure and order 30
Accurate interaction energies by spin component scaled Möller-Plesset second order perturbation theory calculations with optimized basis sets (SCS-MP2mod): Development and application to aromatic heterocycles 29
Systematic and Automated Development of Quantum Mechanically Derived Force Fields: The Challenging Case of Halogenated Hydrocarbons 29
DFT conformational study of banana-shaped mesogens 28
Calculation of the intermolecular energy of large molecules by a fragmentation scheme: Application to the 4-n-pentyl-4 '-cyanobiphenyl (5CB) dimer 28
Sensors for DNA detection: theoretical investigation of the conformational properties of immobilized single-strand DNA 27
Structural and morphological aspects of small 3,5-disubstituted isoxazoles 27
Toward a general mixed quantum/classical method for the calculation of the vibronic ECD of a flexible dye molecule with different stable conformers: Revisiting the case of 2,2,2-trifluoro-anthrylethanol 27
Stability of the nematic phase of 4-n-pentyl-4 '-cyanobiphenyl studied by computer simulation using a hybrid model 27
Parameterization and validation of an accurate force-field for the simulation of alkylamine functionalized silicon (111) surfaces 27
Magnetic Interactions in Phenyl-Bridged Nitroxide Diradicals: Conformational Effects by Multireference and Broken Symmetry DFT Approache 27
Absorption and emission UV-Vis spectra of the TRITC fluorophore molecule in solution: a quantum mechanical study 27
Development and Validation of Quantum Mechanically Derived Force-Fields: Thermodynamic, Structural, and Vibrational Properties of Aromatic Heterocycles 27
Ligh responsive polyolefins by post-reactor modification 26
Absorption and Emission Spectra of a Flexible Dye in Solution: A Computational Time-Dependent Approach 25
Simulating DNA Hybridization on an Amine Functionalized Silicon Substrate 25
Atomistic simulation of a nematogen using a force field derived from quantum chemical calculations 25
Computational study through atomistic potentials of a partial bilayer liquid crystal: structure and dynamics 24
Solvent-Induced Stereochemical Behavior of a Bile Acid-Based Biphenyl Phosphite: A Computational Study 24
A General Treatment to Study Molecular Complexes Stabilized by Hydrogen-, Halogen-, and Carbon-Bond Networks: Experiment and Theory of (CH2F2)n...(H2O)m 24
Delocalization versus Coherence under Vibrational and Environmental Disorder in Photoexcited Supramolecular Aggregates 23
Parameterization and Validation of an Accurate Force-Field for the Simulation of Alkyl-Amine Functionalized Silicon (111) Surfaces 23
Magnetic Interactions in Phenyl-Bridged Nitroxide Diradicals: Conformational Effects by Multireference and Broken Symmetry DFT Approaches 23
Computer simulation of solid and liquid benzene with an atomistic interaction potential derived from ab initio calculations 23
Geometry Optimization of Large and Flexible van der Waals Dimers: A Fragmentation-Reconstruction Approach 23
Parametrization and validation of intramolecular force fields derived from DFT calculations 23
Totale 5.036
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Categoria #
all - tutte 17.658
article - articoli 17.349
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 234
Totale 35.241
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2023/2024111 0 0 0 0 0 0 0 0 4 0 27 80
2024/20252.062 38 14 140 77 508 83 9 172 95 94 464 368
2025/20263.480 235 274 277 463 540 57 392 123 779 270 70 0
Totale 5.653