Catalogo dei prodotti della ricerca

BONELLA, SARA
 Distribuzione geografica
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Continente #
NA - Nord America 1.788
EU - Europa 279
AS - Asia 112
SA - Sud America 8
OC - Oceania 1
Totale 2.188
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Nazione #
US - Stati Uniti d'America 1.776
IT - Italia 82
UA - Ucraina 70
IN - India 69
FI - Finlandia 48
SE - Svezia 40
SG - Singapore 22
GB - Regno Unito 18
CN - Cina 17
CA - Canada 10
AR - Argentina 8
BE - Belgio 8
IE - Irlanda 5
DE - Germania 4
TR - Turchia 4
MX - Messico 2
RU - Federazione Russa 2
AU - Australia 1
FR - Francia 1
NL - Olanda 1
Totale 2.188
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Città #
Fairfield 342
Woodbridge 160
Houston 153
Ashburn 139
Chandler 139
Seattle 117
Wilmington 110
Ann Arbor 101
Cambridge 98
San Paolo di Civitate 45
Des Moines 40
Princeton 40
Plano 38
Lawrence 30
San Diego 23
Jacksonville 22
Millbury 22
Rome 21
Boston 16
Beijing 14
Lappeenranta 11
Singapore 11
Andover 10
Boardman 8
Brussels 8
Federal 8
Toronto 8
Dearborn 7
Auburn Hills 6
Dublin 5
Falls Church 4
Indiana 4
Istanbul 4
Mexico City 2
New York 2
Ottawa 2
Peveragno 2
Tortoreto 2
Anaheim 1
Bernareggio 1
Bühl 1
Centro 1
Fremont 1
Genova 1
Hanover 1
Hounslow 1
London 1
Marcilly-en-Bassigny 1
Nanchang 1
Norwalk 1
Padova 1
Pavia 1
Redmond 1
San Francisco 1
San Mateo 1
Secaucus 1
Seversk 1
Wuhan 1
Zhengzhou 1
Totale 1.795
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Nome #
Calculations of free energy barriers for local mechanisms of hydrogen diffusion in alanates 124
Modified single sweep method for reconstructing free-energy landscapes 114
Trotter-based simulation of quantum-classical dynamics 92
An adiabatic linearized path integral approach for quantum time functions: Electronic transport in metal-molten salt solutions 82
Calculations of free energy barriers for local mechanisms of hydrogen diffusion in alanates 74
An adiabatic linearized path integral approach for quantum time-correlation functions II: A cumulant expansion method for improving convergence 73
A semiclassical limit for the mapping Hamiltonian approach to electronically nonadiabatic dynamics 71
Mapping the hydropathy of amino acids based on their local solvation structure 69
Linearized path integral methods for quantum time correlation functions 67
LAND-map, a linearized approach to nonadiabatic dynamics using the mapping formalism 67
Silver self aggregation in a nanodevice for enhanced Raman spectroscopy: Experiments vs. simplified modeling via molecular dynamics 66
Charge transport simulations of NaCl in an external magnetic field: the quest for the Hall effect 61
Theory and methods for rare events 59
Short range hydrogen diffusion in Na3AlH6 58
Linearization approximations and Liouville quantum-classical dynamics 58
A statistical mechanics handbook for protein-ligand binding simulation 58
Path integral based calculations of symmetrized time correlation functions. I. 57
Approximating Time-Dependent Quantum Statistical Properties 57
Iterative linearized approach to nonadiabatic dynamics 56
Linearized path integral approach for calculating nonadiabatic time correlation functions 53
Vibrational dynamics of the I-3 radical: A semiempirical potential surface, and semiclassical calculation of the anion photoelectron spectrum 53
Hydration Structure of the Quaternary Ammonium Cations 52
Linearized approximations for condensed phase non-adiabatic dynamics: Multi-layered baths and Brownian dynamics implementation 52
Linearized time-dependent non-adiabatic quantum correlation functions 52
Analysis of the quantum-classical Liouville equation in the mapping basis 51
Path integral based calculations of symmetrized time correlation functions. II 51
Semi-classical implementation of mapping Hamiltonian methods for general non-adiabatic problems 49
Linearized symmetrized quantum time correlation functions calculation via phase pre-averaging 49
Linearized nonadiabatic dynamics in the adiabatic representation 47
Quantum dynamical structure factor of liquid neon via a quasiclassical symmetrized method 47
Winter Term visiting instructor 46
Gas phase infrared spectra via the phase integration quasi-classical method 44
Early stage of the dehydrogenation of NaAlH 4 by ab initio rare event simulations 42
Semiclassical implementation of the mapping Hamiltonian approach for nonadiabatic dynamics using focused initial distribution sampling 39
The quantum free energy barrier for hydrogen vacancy diffusion in Na3AlH6. 39
Invited Professor 26
Trajectory study of supercollision relaxation in highly vibrationally excited pyrazyne and CO2 22
HPC-Europa Visiting Fellow 22
Totale 2.199
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Categoria #
all - tutte 5.051
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 5.051
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2018/2019263 0 0 0 0 0 0 0 0 0 0 153 110
2019/2020610 90 20 7 31 68 71 80 81 75 38 29 20
2020/2021167 23 30 10 22 3 9 3 17 17 20 11 2
2021/2022391 2 36 43 5 42 13 10 48 31 38 43 80
2022/2023421 71 110 23 30 42 86 4 19 24 2 10 0
2023/202482 8 21 3 6 4 0 4 1 0 19 16 0
Totale 2.199