CNR Institutional Research Information System

PRAMPOLINI, GIACOMO
 Distribuzione geografica
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Continente #
AS - Asia 2.460
NA - Nord America 1.441
EU - Europa 1.415
SA - Sud America 409
AF - Africa 42
OC - Oceania 4
Continente sconosciuto - Info sul continente non disponibili 1
Totale 5.772
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Nazione #
US - Stati Uniti d'America 1.365
SG - Singapore 1.068
RU - Federazione Russa 655
CN - Cina 617
IT - Italia 355
BR - Brasile 337
VN - Vietnam 228
HK - Hong Kong 222
FR - Francia 142
KR - Corea 106
DE - Germania 52
NL - Olanda 43
GB - Regno Unito 39
FI - Finlandia 38
CA - Canada 37
IN - India 36
JP - Giappone 33
AR - Argentina 31
BD - Bangladesh 27
ES - Italia 19
AT - Austria 17
ID - Indonesia 17
IL - Israele 16
EC - Ecuador 15
MX - Messico 15
SA - Arabia Saudita 12
TR - Turchia 12
IQ - Iraq 11
EG - Egitto 9
JM - Giamaica 8
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
AE - Emirati Arabi Uniti 3
AU - Australia 3
DZ - Algeria 3
EE - Estonia 3
KW - Kuwait 3
OM - Oman 3
SE - Svezia 3
TN - Tunisia 3
TT - Trinidad e Tobago 3
UY - Uruguay 3
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
LU - Lussemburgo 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
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 5.764
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Città #
Singapore 595
Santa Clara 549
Hefei 290
Hong Kong 215
San Jose 125
Lauterbourg 119
Ashburn 114
Beijing 111
Seoul 105
Ho Chi Minh City 75
Hanoi 55
Dallas 46
Los Angeles 35
Pisa 26
Frankfurt am Main 23
New York 23
São Paulo 22
Florence 21
Lappeenranta 21
Buffalo 19
Guangzhou 17
Council Bluffs 16
Helsinki 16
Minamishinagawa 14
Orem 14
Tokyo 14
Rio de Janeiro 12
Haiphong 11
London 11
Belo Horizonte 10
Bengaluru 10
Cascina 10
Modena 10
Nuremberg 10
Chennai 9
Livorno 9
Vienna 9
Atlanta 8
Curitiba 8
Madrid 8
Toronto 8
Biên Hòa 7
Brasília 7
Da Nang 7
Denver 7
Bologna 6
Guayaquil 6
Kingston 6
Louisville 6
Milan 6
Montreal 6
Philadelphia 6
Tashkent 6
Vĩnh Long 6
Amman 5
Brooklyn 5
Brussels 5
Chicago 5
Dublin 5
Düsseldorf 5
Jeddah 5
Manchester 5
Portsmouth 5
Rome 5
Warsaw 5
Amsterdam 4
Aracaju 4
Boardman 4
Caracas 4
Caxias do Sul 4
City of London 4
Elk Grove Village 4
Houston 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
Zurich 4
Baghdad 3
Bandung 3
Bogotá 3
Buenos Aires 3
Bắc Ninh 3
Campinas 3
Cape Town 3
Contagem 3
Dhaka 3
Fort Lauderdale 3
Fort Worth 3
Fortaleza 3
Istanbul 3
Totale 3.087
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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 736
A Portrait of the Chromophore as a Young System—Quantum-Derived Force Field Unraveling Solvent Reorganization upon Optical Excitation of Cyclocurcumin Derivatives 93
Absorption and emission spectra of fluorescent silica nanoparticles from TD-DFT/MM/PCM calculations 91
Solvent effects on catechol's binding affinity: investigating the role of the intra-molecular hydrogen bond through a computational multi-level approach 90
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 77
Eumelanin broadband absorption develops from aggregation-modulated chromophore interactions under structural and redox control 72
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
Non-adiabatic direct quantum dynamics using force fields: Toward solvation 71
DNA Hybridization Mechanism on Silicon Nanowires: a Molecular Dynamics Approach 67
Exciton Binding Energy in Molecular Triads 67
Molecular Dynamics Simulations of the Self-Assembly of Tetraphenylporphyrin-Based Monolayers and Bilayers at a Silver Interface 67
Non-Phenomenological Description of the Time-Resolved Emission in Solution with Quantum-Classical Vibronic Approaches--Application to Coumarin C153 in Methanol 66
The phenoxyl group-modulated interplay of cation–π and σ-type interactions in the alkali metal series 66
Explicit Modelling of Spectral Bandshapes by a Mixed Quantum-Classical Approach: Solvent Order and Temperature Effects in the Optical Spectra of Distyrylbenzene 66
Integrated Quantum-Classical Protocol for the Realistic Description of Solvated Multinuclear Mixed-Valence Transition-Metal Complexes and Their Solvatochromic Properties 65
Molecular Tribology: Chemically Engineering Energy Dissipation at the Nanoscale 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
Modified virtual orbitals for CI calculations of energy splitting in organic diradicals 61
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 60
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 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 58
An Integrated Protocol for the Accurate Calculation of Magnetic Interactions in Organic Magnets 58
Intermolecular force fields of large molecules by the fragmentation reconstruction method (FRM): Application to a nematic liquid crystal 55
Dissecting the nature and dynamics of electronic excitations in a solid-state aggregate of a representative non-fullerene acceptor 53
Accounting for Vibronic Features through a Mixed Quantum-Classical Scheme: Structure, Dynamics, and Absorption Spectra of a Perylene Diimide Dye in Solution 52
Dynamic effects on the nonlinear optical properties of donor acceptor stenhouse adducts: insights from combined MD + QM simulations 51
Noncovalent interactions in catechol/ammonium-rich adhesive motifs: Reassessing the role of cation-pi complexes? 50
Adiabatic-Molecular Dynamics Generalized Vertical Hessian Approach: A Mixed Quantum Classical Method to Compute Electronic Spectra of Flexible Molecules in the Condensed Phase 50
Fluorescence spectra of organic dyes in solution: a time dependent multilevel approach 50
Flexible Superlubricity Unveiled in Sidewinding Motion of Individual Polymeric Chains 50
Accurate Quantum-Mechanically Derived Force-Fields through a Fragment-Based Approach: Balancing Specificity and Transferability in the Prediction of Self-Assembly in Soft Matter 49
On-Surface Synthesis and Cryogenic Exfoliation of Sterically Frustrated Atropisomers 49
Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: pyrimidine as a test case 48
Quantitative prediction and interpretation of spin energy gaps in polyradicals: The virtual magnetic balance 48
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 48
Proton and electron transfer mechanisms in the formation of neutral and charged quinhydrone-like complexes: A multilayered computational study 48
Magnetic gaps in organic tri-radicals: From a simple model to accurate estimates 47
Anticooperative self-assembly of perylene diimide dyes in water unveiled by advanced molecular dynamics simulations 47
Phonon interference in single-molecule junctions 47
Deciphering the Luminescence Spectral Shape of an Oxyluciferin Analogue through a Mixed Quantum-Classical Approach 46
Structure-Properties Relationships in Triplet Ground State Organic Diradicals: A Computational Study 46
Unraveling the contributions to the spectral shape of flexible dyes in solution: insights on the absorption spectrum of an oxyluciferin analogue 46
Unraveling the interplay of different contributions to the stability of the quinhydrone dimer 45
Computational Design, Synthesis, and Mechanochromic Properties of New Thiophene-Based pi-Conjugated Chromophores 45
A Set of Quantum-Mechanically Derived Force Fields for Natural and Synthetic Retinal Photoswitches 45
BALOO: A Fast and Versatile Code for Accurate Multireference Variational/Perturbative Calculations 44
Density functional theory study of the conformational space of phenyl benzoate, a common fragment in many mesogenic molecules 43
Temperature effects on the conformational dynamics and nonlinear optical properties of donor–acceptor Stenhouse adducts in chloroform solution 43
Conformational Effects on the Magnetic Properties of an Organic Diradical: A Computational Study 43
Modeling Solvent Broadening on the Vibronic Spectra of a Series of Coumarin Dyes. From Implicit to Explicit Solvent Models 43
Predicting light absorption properties of anthocyanidins in solution: a multi-level computational approach 42
Noncovalent Interactions in the Catechol Dimer 42
Perturbative Multireference Configuration Interaction (CI-MRPT2) Calculations in a Focused Dynamical Approach: A Computational Study of Solvatochromism in Pyrimidine 42
Singlet-triplet energy gap of a diarylnitroxide diradical by an accurate many-body perturbative approach 41
Theoretical Study of the Conformational and Optical Properties of a Fluorescent Sensor Grafted on Apolar Polymer Structures 41
The Role of Non-Covalent Interactions on Cluster Formation: Pentamer, Hexamers and Heptamer of Difluoromethane 40
Realistic Modeling of Fluorescent Dye-Doped Silica Nanoparticles: A Step Toward the Understanding of their Enhanced Photophysical Properties 40
Sequential Bending and Twisting around C-C Single Bonds by Mechanical Lifting of a Pre-Adsorbed Polymer 40
Organic Functionalization and Optimal Coverage of a Silicon(111) Surface in Solvent: A Computational Study 40
Intermolecular interactions in eumelanins: a computational bottom-up approach. I. small building blocks 39
Interactions of Nucleotide Bases with Decorated Si Surfaces from Molecular Dynamics Simulations 39
Solvent effects on the second harmonic responses of donor–acceptor Stenhouse adducts: from implicit to hybrid solvation models 38
Complementary and partially complementary DNA duplexes tethered to a functionalized substrate: a molecular dynamics approach to biosensing 38
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 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 37
Computer simulation of mesogens with ab initio interaction potentials - An application to oligophenyls 36
Iron's Wake: The Performance of Quantum Mechanical-Derived Versus General-Purpose Force Fields Tested on a Luminescent Iron Complex 35
Accurate yet feasible post-Hartree-Fock computation of magnetic interactions in large biradicals through a combined variational/perturbative approach: Setup and validation 33
Computational screening of weak hydrogen bond networks: Predicting stable structures for difluoromethane oligomers 33
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
Structural and morphological aspects of small 3,5-disubstituted isoxazoles 30
Subdiffusive dynamics of a liquid crystal in the isotropic phase 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 30
DFT conformational study of banana-shaped mesogens 30
Deuterium and carbon-13 NMR study of a banana mesogen: Molecular structure and order 30
Sensors for DNA detection: theoretical investigation of the conformational properties of immobilized single-strand DNA 29
Systematic and Automated Development of Quantum Mechanically Derived Force Fields: The Challenging Case of Halogenated Hydrocarbons 29
Calculation of the intermolecular energy of large molecules by a fragmentation scheme: Application to the 4-n-pentyl-4 '-cyanobiphenyl (5CB) dimer 29
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 28
Stability of the nematic phase of 4-n-pentyl-4 '-cyanobiphenyl studied by computer simulation using a hybrid model 28
Parameterization and validation of an accurate force-field for the simulation of alkylamine functionalized silicon (111) surfaces 28
Absorption and emission UV-Vis spectra of the TRITC fluorophore molecule in solution: a quantum mechanical study 28
Magnetic Interactions in Phenyl-Bridged Nitroxide Diradicals: Conformational Effects by Multireference and Broken Symmetry DFT Approache 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
Delocalization versus Coherence under Vibrational and Environmental Disorder in Photoexcited Supramolecular Aggregates 26
Absorption and Emission Spectra of a Flexible Dye in Solution: A Computational Time-Dependent Approach 26
Simulating DNA Hybridization on an Amine Functionalized Silicon Substrate 26
Atomistic simulation of a nematogen using a force field derived from quantum chemical calculations 26
Structure and dynamics of mesogens using intermolecular potentials derived from ab initio calculations 25
Parametrization and validation of intramolecular force fields derived from DFT calculations 25
Banana-shaped molecules peculiarly oriented in a magnetic field: H-2 NMR spectroscopy and quantum mechanical calculations 25
Solvent effect on the energetics of proton coupled electron transfer in guanine-cytosine pair in chloroform by mixed explicit and implicit solvation models 24
Comparing classical approaches with empirical or quantum-mechanically derived force fields for the simulation electronic lineshapes: application to coumarin dyes 24
DFT study of the torsional potential in ethylbenzene and ethoxybenzene: The smallest prototypes of alkyl- and alkoxy-aryl mesogens 24
Computational study through atomistic potentials of a partial bilayer liquid crystal: structure and dynamics 24
Totale 5.206
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Categoria #
all - tutte 19.503
article - articoli 19.160
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 259
Totale 38.922
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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
2025/20263.571 235 274 277 463 540 57 392 123 779 270 81 80
2026/2027121 121 0 0 0 0 0 0 0 0 0 0 0
Totale 5.865