CNR Institutional Research Information System

PRAMPOLINI, GIACOMO
 Distribuzione geografica
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Continente #
AS - Asia 2.496
NA - Nord America 1.783
EU - Europa 1.448
SA - Sud America 455
Continente sconosciuto - Info sul continente non disponibili 94
AF - Africa 43
OC - Oceania 4
Totale 6.323
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Nazione #
US - Stati Uniti d'America 1.674
SG - Singapore 1.069
RU - Federazione Russa 655
CN - Cina 622
IT - Italia 376
BR - Brasile 347
VN - Vietnam 234
HK - Hong Kong 222
FR - Francia 144
KR - Corea 106
DE - Germania 52
CA - Canada 47
GB - Regno Unito 44
NL - Olanda 43
FI - Finlandia 38
IN - India 37
BD - Bangladesh 35
AR - Argentina 33
JP - Giappone 33
EC - Ecuador 25
CO - Colombia 24
ID - Indonesia 21
ES - Italia 19
MX - Messico 18
AT - Austria 17
IL - Israele 16
SA - Arabia Saudita 14
VE - Venezuela 14
TR - Turchia 13
IQ - Iraq 11
JM - Giamaica 11
EG - Egitto 9
PL - Polonia 9
IE - Irlanda 7
PK - Pakistan 7
UA - Ucraina 7
ZA - Sudafrica 7
CL - Cile 6
LT - Lituania 6
MA - Marocco 6
PH - Filippine 6
UZ - Uzbekistan 6
BB - Barbados 5
BE - Belgio 5
CR - Costa Rica 5
JO - Giordania 5
KZ - Kazakistan 5
NI - Nicaragua 5
CH - Svizzera 4
AE - Emirati Arabi Uniti 3
AU - Australia 3
DZ - Algeria 3
EE - Estonia 3
GT - Guatemala 3
HN - Honduras 3
KW - Kuwait 3
MY - Malesia 3
OM - Oman 3
SE - Svezia 3
TH - Thailandia 3
TN - Tunisia 3
TT - Trinidad e Tobago 3
UY - Uruguay 3
AZ - Azerbaigian 2
BA - Bosnia-Erzegovina 2
GE - Georgia 2
GH - Ghana 2
GR - Grecia 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
SV - El Salvador 2
AL - Albania 1
BH - Bahrain 1
BW - Botswana 1
CI - Costa d'Avorio 1
CV - Capo Verde 1
CZ - Repubblica Ceca 1
DO - Repubblica Dominicana 1
GA - Gabon 1
GN - Guinea 1
HR - Croazia 1
KH - Cambogia 1
LC - Santa Lucia 1
LY - Libia 1
MM - Myanmar 1
MN - Mongolia 1
MR - Mauritania 1
NA - Namibia 1
NE - Niger 1
NO - Norvegia 1
NZ - Nuova Zelanda 1
PA - Panama 1
PT - Portogallo 1
Totale 6.218
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Città #
Singapore 595
Santa Clara 551
Hefei 290
Hong Kong 215
Ashburn 164
San Jose 127
Lauterbourg 119
Beijing 112
Seoul 105
Ho Chi Minh City 80
Hanoi 55
Dallas 49
Los Angeles 39
Pisa 32
New York 24
São Paulo 24
Florence 23
Frankfurt am Main 23
Council Bluffs 21
Lappeenranta 21
Buffalo 19
Guangzhou 17
Helsinki 16
Minamishinagawa 14
Orem 14
Tokyo 14
Philadelphia 13
Rio de Janeiro 13
Haiphong 12
Atlanta 11
Chicago 11
London 11
Belo Horizonte 10
Bengaluru 10
Brooklyn 10
Cascina 10
Modena 10
Nuremberg 10
Bogotá 9
Chennai 9
Guayaquil 9
Kingston 9
Livorno 9
Vienna 9
Brasília 8
Curitiba 8
Denver 8
Madrid 8
Toronto 8
Biên Hòa 7
Da Nang 7
Jeddah 7
Louisville 7
Milan 7
Montreal 7
Phoenix 7
Rome 7
Bologna 6
Caracas 6
Dublin 6
Manchester 6
Tashkent 6
Vĩnh Long 6
Washington 6
Albuquerque 5
Amman 5
Amsterdam 5
Bridgetown 5
Brussels 5
Charlotte 5
Dhaka 5
Düsseldorf 5
Houston 5
Jakarta 5
Managua 5
Orlando 5
Portsmouth 5
Quito 5
Richmond 5
San José 5
Shanghai 5
Warsaw 5
Aracaju 4
Bandung 4
Boardman 4
Caxias do Sul 4
City of London 4
Cleveland 4
Elk Grove Village 4
Fort Lauderdale 4
Fort Worth 4
Hải Dương 4
Istanbul 4
Jacksonville 4
Johannesburg 4
Las Vegas 4
Medellín 4
Mumbai 4
Naples 4
Ninh Bình 4
Totale 3.248
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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 737
A Portrait of the Chromophore as a Young System—Quantum-Derived Force Field Unraveling Solvent Reorganization upon Optical Excitation of Cyclocurcumin Derivatives 96
Solvent effects on catechol's binding affinity: investigating the role of the intra-molecular hydrogen bond through a computational multi-level approach 95
Absorption and emission spectra of fluorescent silica nanoparticles from TD-DFT/MM/PCM calculations 93
Automated Parameterization of Quantum Mechanically Derived Force Fields for Soft Materials and Complex Fluids: Development and Validation 86
JOYCE3.0: A General Protocol for the Specific Parametrization of Accurate Intramolecular Quantum Mechanically Derived Force Fields 79
Eumelanin broadband absorption develops from aggregation-modulated chromophore interactions under structural and redox control 78
Non-adiabatic direct quantum dynamics using force fields: Toward solvation 75
Assessing alkyl side chain effects on electron transport properties of Y6-derived non-fullerene acceptors 74
Predicting Spontaneous Orientational Self-Assembly: In Silico Design of Materials with Quantum Mechanically Derived Force Fields 73
Non-Phenomenological Description of the Time-Resolved Emission in Solution with Quantum-Classical Vibronic Approaches--Application to Coumarin C153 in Methanol 73
Molecular Dynamics Simulations of the Self-Assembly of Tetraphenylporphyrin-Based Monolayers and Bilayers at a Silver Interface 71
DNA Hybridization Mechanism on Silicon Nanowires: a Molecular Dynamics Approach 70
Explicit Modelling of Spectral Bandshapes by a Mixed Quantum-Classical Approach: Solvent Order and Temperature Effects in the Optical Spectra of Distyrylbenzene 70
The phenoxyl group-modulated interplay of cation–π and σ-type interactions in the alkali metal series 69
Exciton Binding Energy in Molecular Triads 68
Integrated Quantum-Classical Protocol for the Realistic Description of Solvated Multinuclear Mixed-Valence Transition-Metal Complexes and Their Solvatochromic Properties 68
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 67
Molecular Tribology: Chemically Engineering Energy Dissipation at the Nanoscale 66
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+ 66
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 65
Modified virtual orbitals for CI calculations of energy splitting in organic diradicals 64
Intermolecular force fields of large molecules by the fragmentation reconstruction method (FRM): Application to a nematic liquid crystal 63
A Set of Quantum-Mechanically Derived Force Fields for Natural and Synthetic Retinal Photoswitches 60
Short- and Long-Range Solvation Effects on the Transient UV-Vis Absorption Spectra of a Ru(II)-Polypyridine Complex Disentangled by Nonequilibrium Molecular Dynamics 59
An Integrated Protocol for the Accurate Calculation of Magnetic Interactions in Organic Magnets 59
Dissecting the nature and dynamics of electronic excitations in a solid-state aggregate of a representative non-fullerene acceptor 59
Dynamic effects on the nonlinear optical properties of donor acceptor stenhouse adducts: insights from combined MD + QM simulations 56
Noncovalent interactions in catechol/ammonium-rich adhesive motifs: Reassessing the role of cation-pi complexes? 56
Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: pyrimidine as a test case 55
On-Surface Synthesis and Cryogenic Exfoliation of Sterically Frustrated Atropisomers 55
Quantitative prediction and interpretation of spin energy gaps in polyradicals: The virtual magnetic balance 54
Anticooperative self-assembly of perylene diimide dyes in water unveiled by advanced molecular dynamics simulations 54
Accurate Quantum-Mechanically Derived Force-Fields through a Fragment-Based Approach: Balancing Specificity and Transferability in the Prediction of Self-Assembly in Soft Matter 54
Unraveling the interplay of different contributions to the stability of the quinhydrone dimer 53
Accounting for Vibronic Features through a Mixed Quantum-Classical Scheme: Structure, Dynamics, and Absorption Spectra of a Perylene Diimide Dye in Solution 53
Adiabatic-Molecular Dynamics Generalized Vertical Hessian Approach: A Mixed Quantum Classical Method to Compute Electronic Spectra of Flexible Molecules in the Condensed Phase 53
Fluorescence spectra of organic dyes in solution: a time dependent multilevel approach 53
Flexible Superlubricity Unveiled in Sidewinding Motion of Individual Polymeric Chains 52
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 50
BALOO: A Fast and Versatile Code for Accurate Multireference Variational/Perturbative Calculations 50
Proton and electron transfer mechanisms in the formation of neutral and charged quinhydrone-like complexes: A multilayered computational study 50
Magnetic gaps in organic tri-radicals: From a simple model to accurate estimates 49
Phonon interference in single-molecule junctions 49
Unraveling the contributions to the spectral shape of flexible dyes in solution: insights on the absorption spectrum of an oxyluciferin analogue 49
Density functional theory study of the conformational space of phenyl benzoate, a common fragment in many mesogenic molecules 48
Structure-Properties Relationships in Triplet Ground State Organic Diradicals: A Computational Study 48
Computational Design, Synthesis, and Mechanochromic Properties of New Thiophene-Based pi-Conjugated Chromophores 47
Conformational Effects on the Magnetic Properties of an Organic Diradical: A Computational Study 47
Noncovalent Interactions in the Catechol Dimer 47
Deciphering the Luminescence Spectral Shape of an Oxyluciferin Analogue through a Mixed Quantum-Classical Approach 47
Singlet-triplet energy gap of a diarylnitroxide diradical by an accurate many-body perturbative approach 45
Realistic Modeling of Fluorescent Dye-Doped Silica Nanoparticles: A Step Toward the Understanding of their Enhanced Photophysical Properties 45
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 45
Predicting light absorption properties of anthocyanidins in solution: a multi-level computational approach 45
Modeling Solvent Broadening on the Vibronic Spectra of a Series of Coumarin Dyes. From Implicit to Explicit Solvent Models 45
Sequential Bending and Twisting around C-C Single Bonds by Mechanical Lifting of a Pre-Adsorbed Polymer 44
Temperature effects on the conformational dynamics and nonlinear optical properties of donor–acceptor Stenhouse adducts in chloroform solution 44
Intermolecular interactions in eumelanins: a computational bottom-up approach. I. small building blocks 44
Perturbative Multireference Configuration Interaction (CI-MRPT2) Calculations in a Focused Dynamical Approach: A Computational Study of Solvatochromism in Pyrimidine 44
The Role of Non-Covalent Interactions on Cluster Formation: Pentamer, Hexamers and Heptamer of Difluoromethane 43
Theoretical Study of the Conformational and Optical Properties of a Fluorescent Sensor Grafted on Apolar Polymer Structures 43
Organic Functionalization and Optimal Coverage of a Silicon(111) Surface in Solvent: A Computational Study 42
Solvent effects on the second harmonic responses of donor–acceptor Stenhouse adducts: from implicit to hybrid solvation models 40
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 40
Interactions of Nucleotide Bases with Decorated Si Surfaces from Molecular Dynamics Simulations 40
Iron's Wake: The Performance of Quantum Mechanical-Derived Versus General-Purpose Force Fields Tested on a Luminescent Iron Complex 39
Complementary and partially complementary DNA duplexes tethered to a functionalized substrate: a molecular dynamics approach to biosensing 39
Computer simulation of mesogens with ab initio interaction potentials - An application to oligophenyls 37
Accurate yet feasible post-Hartree-Fock computation of magnetic interactions in large biradicals through a combined variational/perturbative approach: Setup and validation 36
Computational screening of weak hydrogen bond networks: Predicting stable structures for difluoromethane oligomers 36
Structure and dynamics of ferrocyanide and ferricyanide anions in water and heavy water: An insight by MD simulations and 2D IR spectroscopy 35
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 35
Deuterium and carbon-13 NMR study of a banana mesogen: Molecular structure and order 35
Structural and morphological aspects of small 3,5-disubstituted isoxazoles 34
An automated approach for the parameterization of accurate intermolecular force-fields: Pyridine as a case study 34
Accuracy of Quantum Mechanically Derived Force-Fields Parameterized from Dispersion-Corrected DFT Data: The Benzene Dimer as a Prototype for Aromatic Interactions 34
Subdiffusive dynamics of a liquid crystal in the isotropic phase 34
Systematic and Automated Development of Quantum Mechanically Derived Force Fields: The Challenging Case of Halogenated Hydrocarbons 34
DFT conformational study of banana-shaped mesogens 33
Stability of the nematic phase of 4-n-pentyl-4 '-cyanobiphenyl studied by computer simulation using a hybrid model 33
Parameterization and validation of an accurate force-field for the simulation of alkylamine functionalized silicon (111) surfaces 33
DFT study of the torsional potential in ethylbenzene and ethoxybenzene: The smallest prototypes of alkyl- and alkoxy-aryl mesogens 32
Calculation of the intermolecular energy of large molecules by a fragmentation scheme: Application to the 4-n-pentyl-4 '-cyanobiphenyl (5CB) dimer 32
Sensors for DNA detection: theoretical investigation of the conformational properties of immobilized single-strand DNA 31
Classical Force Fields Tailored for QM Applications: Is It Really a Feasible Strategy? 31
Atomistic simulation of a nematogen using a force field derived from quantum chemical calculations 31
Delocalization versus Coherence under Vibrational and Environmental Disorder in Photoexcited Supramolecular Aggregates 30
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 30
Magnetic Interactions in Phenyl-Bridged Nitroxide Diradicals: Conformational Effects by Multireference and Broken Symmetry DFT Approache 30
Absorption and emission UV-Vis spectra of the TRITC fluorophore molecule in solution: a quantum mechanical study 30
Simulating DNA Hybridization on an Amine Functionalized Silicon Substrate 29
Development and Validation of Quantum Mechanically Derived Force-Fields: Thermodynamic, Structural, and Vibrational Properties of Aromatic Heterocycles 29
Magnetic Interactions in Phenyl-Bridged Nitroxide Diradicals: Conformational Effects by Multireference and Broken Symmetry DFT Approaches 28
From Quantum Mechanics to Coarse-Grained Models: Bridging the Gap toward Polymer Rational Design 28
Parametrization and validation of intramolecular force fields derived from DFT calculations 28
Ligh responsive polyolefins by post-reactor modification 27
Structure and dynamics of mesogens using intermolecular potentials derived from ab initio calculations 27
Solvent effect on the energetics of proton coupled electron transfer in guanine-cytosine pair in chloroform by mixed explicit and implicit solvation models 27
Comparing classical approaches with empirical or quantum-mechanically derived force fields for the simulation electronic lineshapes: application to coumarin dyes 27
Totale 5.569
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Categoria #
all - tutte 21.432
article - articoli 21.056
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 283
Totale 42.771
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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
2026/2027579 168 169 242 0 0 0 0 0 0 0 0 0
Totale 6.323