CNR Institutional Research Information System

FERRETTI, ALESSANDRO
 Distribuzione geografica
Salva come PNG Salva come JPEG
Continente #
NA - Nord America 712
AS - Asia 149
EU - Europa 37
Totale 898
Salva come PNG Salva come JPEG
Nazione #
US - Stati Uniti d'America 712
SG - Singapore 146
IT - Italia 24
FI - Finlandia 8
CN - Cina 3
DE - Germania 2
BE - Belgio 1
GB - Regno Unito 1
LT - Lituania 1
Totale 898
Salva come PNG Salva come JPEG
Città #
Santa Clara 688
Singapore 104
Helsinki 8
Pisa 4
Bologna 3
Guangzhou 2
Brussels 1
Falkenstein 1
Frankfurt am Main 1
London 1
Modena 1
Phoenix 1
Totale 815
Salva come PNG Salva come JPEG
Nome #
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+ 20
An Integrated Protocol for the Accurate Calculation of Magnetic Interactions in Organic Magnets 14
Solvent effects on catechol's binding affinity: investigating the role of the intra-molecular hydrogen bond through a computational multi-level approach 12
Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: pyrimidine as a test case 12
Noncovalent interactions in catechol/ammonium-rich adhesive motifs: Reassessing the role of cation-pi complexes? 12
The phenoxyl group-modulated interplay of cation–π and σ-type interactions in the alkali metal series 12
Absorption spectra for a model double resonance system involving continuum: Effects of gaussian distribution of levels 11
Modified virtual orbitals for CI calculations of energy splitting in organic diradicals 11
DNA Hybridization Mechanism on Silicon Nanowires: a Molecular Dynamics Approach 11
RUTHENIUM PYRAZINE MIXED-VALENCE CHAINS BY A 2-BAND HUBBARD HAMILTONIAN - A DISCUSSION ON OPTICAL CONDUCTIVITY SPECTRA 11
Complementary and partially complementary DNA duplexes tethered to a functionalized substrate: a molecular dynamics approach to biosensing 11
Transport properties of binuclear metal complexes of the VIII group using a simplified NEGF-DFT approach 11
A numerical investigation on the role of hole-phonon coupling and its relation to the midgap band in Cu-O high Tc superconductors 11
Statistical analysis of spectra for polyatomic molecules: Methanol 11
Effect of the increase of molecular complexity on statistical properties of vibrational spectra 11
Structure-Properties Relationships in Triplet Ground State Organic Diradicals: A Computational Study 11
Interference effects in molecular system with curve crossing 10
Computation of the I/V characteristic of a molecular switch 10
The influence of hole-phonon coupling on the flux quantization in rings 10
Theoretical study of building blocks for molecular switches based on electrically induced conformational changes 10
Quantitative prediction and interpretation of spin energy gaps in polyradicals: The virtual magnetic balance 10
Unraveling the interplay of different contributions to the stability of the quinhydrone dimer 10
Singlet-triplet energy gap of a diarylnitroxide diradical by an accurate many-body perturbative approach 10
Electron Transport Properties of Diarylethene Photoswitches by a Simplified NEGF-DFT Approach 10
Conformational Effects on the Magnetic Properties of an Organic Diradical: A Computational Study 10
Intermolecular interactions in eumelanins: a computational bottom-up approach. I. small building blocks 10
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 10
Conductance modulation in molecular devices via field-induced conformational change 10
Hole pairing on oxygen sites in high-Tc copper oxide superconductors induced by an effective exchange interaction: A theoretical and numerical investigation 10
BALOO: A Fast and Versatile Code for Accurate Multireference Variational/Perturbative Calculations 10
Flux quantization and diamagnetic currents in strongly correlated systems 10
Proton and electron transfer mechanisms in the formation of neutral and charged quinhydrone-like complexes: A multilayered computational study 10
Magnetic Interactions in Phenyl-Bridged Nitroxide Diradicals: Conformational Effects by Multireference and Broken Symmetry DFT Approache 10
Simulating DNA Hybridization on an Amine Functionalized Silicon Substrate 10
Trinuclear pyrazine-bridged ruthenium complexes: Syntheses, electrochemistry, NIR-Vis spectra, and their interpretation in terms of a 5-orbital-3-parameter model 10
EXACT RESPONSE TO A CONSTANT VECTOR POTENTIAL FOR HUBBARD AND t-J HAMILTONIANS 10
Chaotic Dynamics, Polyatomic Molecules, Multiphoton Dissociation and All That 10
Organic Functionalization and Optimal Coverage of a Silicon(111) Surface in Solvent: A Computational Study 10
Coupled logistic maps in physico-chemical processes: coexisting attractors and their implications 10
Comment on the calculation of absorption lineshapes for mixed-valence dimers 9
Two electron transfer through a linear chain 9
Eumelanin broadband absorption develops from aggregation-modulated chromophore interactions under structural and redox control 9
Magnetic coupling in bis-nitronylnitroxide radicals: The role of aromatic bridges 9
Sensors for DNA detection: theoretical investigation of the conformational properties of immobilized single-strand DNA 9
Transition probability due to a conical intersection: On the role of the initial conditions and of the geometric setup of the crossing surfaces 9
Accurate yet feasible post-Hartree-Fock computation of magnetic interactions in large biradicals through a combined variational/perturbative approach: Setup and validation 9
Magnetic gaps in organic tri-radicals: From a simple model to accurate estimates 9
Theory of the Stark Effect spectral lineshape for a delocalized mixed-valence complex 9
Tetrazine-bridged binuclear Ru-pentaammine isomeric complexes 9
Chemisorption of silyl radicals onto Pd(100) surface: a computational DFT study 9
Quantum dynamics of a model system with a conical intersection 9
Crown ether encapsulation effects on the optical properties of delocalized and partially localized donor-bridge-acceptor systems 9
Erratum: Role of vibronic coupling and correlation effects on the optical properties of mixed-valent and monovalent dimer compounds: The Creitz-Taube ion and its monovalent analogs (Journal of Physical Chemistry (1995) 99, (10484)) 9
Magnetic Interactions in Phenyl-Bridged Nitroxide Diradicals: Conformational Effects by Multireference and Broken Symmetry DFT Approaches 9
Theoretical study of a molecular junction with asymmetric current/voltage characteristic", Chem. Phys. Lett. 549 (2012) 1 9
Dynamics around a multidimensional conical intersection: a mixed quantum-classical model 9
The role of the multiconfigurational character of nitronyl-nitroxide in the singlet-triplet energy gap of its diradicals 9
Predicting light absorption properties of anthocyanidins in solution: a multi-level computational approach 9
Noncovalent Interactions in the Catechol Dimer 9
Absorption and electroabsorption spectra of [(NH3)(5)Ru(4,4 '-bipyridine)Ru(NH3)(5)](4+) in water by ab initio calculations 9
Parameterization and validation of an accurate force-field for the simulation of alkylamine functionalized silicon (111) surfaces 9
Third-harmonic generation in mixed-valent Ru-Pyrazine chains: a theoretical study 9
Quantum mechanical and semiclassical dynamics at a conical intersection 9
Numerical analysis of transport properties of boron-doped graphene FETs 9
Perturbative Multireference Configuration Interaction (CI-MRPT2) Calculations in a Focused Dynamical Approach: A Computational Study of Solvatochromism in Pyrimidine 9
Analysis of Electron Transfer in Substituted Biphenylmethane 9
Ground and excited state properties and vibronic coupling analysis of the Creutz-Taube ion, C[(NH3)(5)Ru-pyridine-Ru(NH3)(5)](5+), using DFT 9
Theory of electroabsorption spectoscopy in Pyrazine-bridged Ru dimers 8
Absorption and electroabsorption spectra of [(NH3)5Ru-pyrazine]+2 and [(NH3)5Ru-pyrazine-H]+3 by vibronic model Hamiltonian 8
Theory of electroabsorption spectroscopy in poly-nuclear Ru complexes 8
Solvent effect on the optical properties of (NH3)5RU-pyrazine+M (M=2,3) complexes by ab initio calculations. 8
Theoretical study of the absorption spectrum of [(NH3)(5)Ru-(4,4 '-bipyridine)](2+) in solution 8
A basic electronic model for the study of optical properties of delocalized and partially localized donor-bridge-acceptor systems 8
OPTICAL-PROPERTIES OF LINEAR MIXED-VALENCE COORDINATION-COMPOUNDS BY 2-BAND HUBBARD HAMILTONIAN 8
The effect of vibrational structure on multiphoton dissociation spectra of CF3Br 8
OPTICAL-PROPERTIES OF PYRAZINE-BRIDGED RUTHENIUM CHAINS BY THE 2-BAND HUBBARD HAMILTONIAN 8
Statistical analysis of the torsional-rotational levels of methanol in the range 127-1600 cm-1 8
Generation of volatile cobalt species by UV photoreduction and their tentative identification 8
A model study of the wavepacket dynamics around a Jahn-Teller conical intersection in a symmetric charge-transfer system 8
[(NH3)(5)Ru(1,2,4,5-tetrazine)](2+): Synthesis theoretical study of its solvatochromism and experimental and in the visible spectral region 8
Flux quantization in rings for Hubbard (attractive and repulsive) and t-J-like Hamiltonians 8
Absorption and electroabsorption spectra of [(NH3)5Ru-pyrazine]2+ and [(NH3)5Ru-pyrazine-H]3+ by a vibronic model Hamiltonian 8
The photodissociation of dimethylnitrosamine studied by classical trajectories on ab initio potential energy surfaces 8
A study of coupled logistic maps and their usefulness for modelling physico-chemical processes 8
I/V characteristics of a molecular switch 8
Proprietà ottiche di catene di atomi di Ru con leganti a ponte 8
Hole pairing on oxygen sites in high-Tc copper-oxide superconductors induced by an effective exchange interaction: A theoretical and numerical investigation on planar lattices 8
A study of coupled logistic map and its applications in chemical physics 8
Dinamica quantistica dei processi alle intersezioni coniche: modelli interpretativi semplici 8
Role of vibronic coupling and correlation effects on the optical properties of mixed-valent and monovalent dimer compounds: the Creuz-Taube ion and its monovalent analogos 8
Toward an effective yet reliable many-body computation of magnetic couplings in bisnitronyl nitroxide biradicals 8
Absorption spectra of natural pigments as sensitizers in solar cells by TD-DFT and MRPT2: protonated cyanidin 8
On the photophysics of molecoles with charge-transfer excitations between aromatic rings 8
Quantum dynamics at conical intersection: The role of the variation of oscillator frequencies in the diabatic transition 8
Control of the yield of photophysical/photochemical processes by excitation with properly delayed ultrashort phase-locked light pulses: a model study on the pyrazine S2->S1 internal conversion 8
Totale 898
Salva come PNG Salva come JPEG
Categoria #
all - tutte 2.697
article - articoli 2.482
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 86
Totale 5.265
Salva come PNG Salva come JPEG


Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2023/202414 0 0 0 0 0 0 0 1 1 0 6 6
2024/2025884 14 4 111 52 600 103 0 0 0 0 0 0
Totale 898