IRIS - Res&Arch Institutional Research Information System - Research & Archive

CAVALLI, Simonetta
 Distribuzione geografica
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Continente #
NA - Nord America 3.561
EU - Europa 3.005
AS - Asia 1.006
SA - Sud America 3
AF - Africa 2
OC - Oceania 2
Continente sconosciuto - Info sul continente non disponibili 1
Totale 7.580
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Nazione #
US - Stati Uniti d'America 3.533
UA - Ucraina 968
IE - Irlanda 610
SE - Svezia 408
SG - Singapore 356
VN - Vietnam 239
HK - Hong Kong 231
FI - Finlandia 227
IT - Italia 223
DE - Germania 211
RU - Federazione Russa 161
TR - Turchia 59
CN - Cina 56
GB - Regno Unito 55
FR - Francia 41
KR - Corea 38
CH - Svizzera 28
CA - Canada 24
NL - Olanda 15
UZ - Uzbekistan 15
AT - Austria 14
PL - Polonia 14
BE - Belgio 11
GR - Grecia 11
LB - Libano 9
CZ - Repubblica Ceca 5
MX - Messico 4
BR - Brasile 3
AU - Australia 2
JP - Giappone 2
CM - Camerun 1
ES - Italia 1
EU - Europa 1
MA - Marocco 1
PK - Pakistan 1
RO - Romania 1
SK - Slovacchia (Repubblica Slovacca) 1
Totale 7.580
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Città #
Dublin 610
Chandler 530
Jacksonville 470
San Mateo 438
Singapore 262
Boardman 257
Dong Ket 239
Hong Kong 231
Santa Clara 195
Medford 190
Princeton 190
Wilmington 145
Andover 105
Ann Arbor 98
Altamura 91
Lawrence 84
Izmir 59
Saint Petersburg 52
Perugia 44
Des Moines 39
Norwalk 37
Seoul 36
Beijing 35
Helsinki 33
Ashburn 31
Ottawa 22
Redmond 21
San Paolo di Civitate 21
Woodbridge 18
New York 16
Auburn Hills 15
Los Angeles 15
Moscow 12
Brussels 11
Lausanne 11
Den Haag 9
Dearborn 8
Lappeenranta 8
Shanghai 8
Houston 6
Kraków 6
Rome 6
Kiev 5
Amsterdam 4
Falls Church 4
Narni 4
Città Di Castello 3
Frankfurt Am Main 3
Fremont 3
Nürnberg 3
Philadelphia 3
Prato 3
Redwood City 3
Reno 3
San Secondo 3
Simi Valley 3
Trento 3
Bastia 2
Campbell 2
Foligno 2
Milan 2
Vienna 2
Alexandria 1
Barletta 1
Bologna 1
Bratislava 1
Capelle 1
Chieti 1
Corciano 1
Dallas 1
Duncan 1
Fairfield 1
Florence 1
Forest City 1
Frankfurt am Main 1
Geneva 1
Giugliano In Campania 1
Jesi 1
London 1
Ludwigshafen 1
Lyon 1
Madrid 1
Mexico City 1
Mountain View 1
Nanjing 1
Napoli 1
Parma 1
Pisa 1
Québec 1
Salt Lake City 1
San Diego 1
Scuola 1
Serra 1
Sevierville 1
Shibuya 1
Southampton 1
Stockholm 1
Terni 1
Timisoara 1
Toronto 1
Totale 4.812
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Nome #
Adiabatic and post-adiabatic representations for multichannel Schroedinger equations 97
Asymptotic (semiclassical) equivalence of Schroedinger equations with singular potentials and for related systems of two first order equations 92
Angular and hyperangular momentum momentum recoupling, harmonic superposition and Racah polynomials. A recursive algorithm 90
Reactive dynamics from the hyperspherical perspective: ab initio potential energy surface and kinetic paths for the O (3P) + H2 reaction 90
Theoretical Reaction Kinetics Astride the Transition between Moderate and Deep Tunneling Regimes: The F + HD Case 89
Nonadiabatic effects in the hyperspherical description of elementary chemical reactions 83
HYPERQUANTIZATION ALGORITHM. I.THEORY FOR TRIATOMIC SYSTEMS 82
Hyperspherical coordinates for chemical reaction dynamics 76
Unimolecular dissociation and resonances: Adiabatic, sudden and statistical limits, and a comparison with RRKM and quantum model calculations for formaldehyde 75
Alternative Sturmian bases and momentum space orbitals: an application to the hydrogen molecular ion 74
Benchmark Quantum Kinetics at Low Temperatures toward Absolute Zero and Role of Entrance Channel Wells on Tunneling, Virtual States, and Resonances: The F + HD Reaction 70
Multisurface reactive dynamics theory by hyperquantization on new potential energy surfaces for F + H2 system 69
Hyperspherical adiabatic description of interference effects and resonances in collinear chemical reactions 68
The d-dimensional hydrogen atom: hyperspherical harmonics as momentum space orbitals and alternative Sturmians basis sets 67
HYPERQUANTIZATION ALGORITHM: II. IMPLEMENTATION FOR THE F + H2 REACTION DYNAMICS INCLUDING OPEN-SHELL AND SPIN-ORBIT INTERACTION 67
Dynamics on reactive potential energy surfaces from the hyperspherical perspective 66
Advances in Hyperspherical and Related Approaches to the Dynamics of Reactions and of Nanoclusters 65
Body Frames and Frame Singularities for Three-Atom Systems 64
Probabilities for the F + H2 --> HF + H reaction by the Hyperquantization Algorithm : Alternative sequential diagonalization schemes 64
Benchmark dynamics for prototypical triatomic systems by hyperquantization algorithm 62
Hydrogenoid orbitals revisited: from Slater orbitals to Coulomb Sturmians 62
Spettroscopia elettronica dello stato di transizione dei processi di autoionizzazione collisionale 62
Asymptotic (short-wave) equivalence of one-dimensional Schrodinger equations by formal canonical transformations and its generalizations 60
Potential energy surfaces for the benzene-rare gas systems 59
Coordinates for Molecular Dynamics: Orthogonal Local Systems 58
Ab initio dynamics of the He + H2+ -->HeH+ + H reaction: A new potential energy surface and quantum mechanical cross sections 58
Theory of electronically non-adiabatic reactions: rotational, Coriolis, spin-orbit coupling and the hyperquantization algorithm 57
Angular momentum coupling schemes for molecular collisions: the stereodirected representation 57
Angular and hyperangular momentum coupling coefficients as Hahn polynomials 56
The F + H2 and Cl + H2 potential energy surfaces at long range, including open-shell and spin-orbit effects 55
Hyperspherical coordinates for molecular dynamics by the method of trees and the mapping of potential energy surface for triatomic systems 55
The quantum-mechanical hamiltonian for tetra-atomic systems in symmetric hyperspherical coordinates 55
Internal Spaces, Kinematic Rotations and Body Frames for Four-Atom Systems 55
Adiabatic and diabatic representations for reactive scattering with the hyperspherical formalism 54
Hyperspherical symmetry of hydrogenic orbitals and recoupling coefficients among alternative bases 53
A semiclassical approach to the dynamics of chemical reactions within the hyperspherical formalism 53
On the origin of the forward peak and backward oscillations in the F+H2(v=0) --> HF(v'=2) + H reaction 53
Angular and hyperangular momentum in chemical dynamics 53
Exact quantum stereodynamics: the steric effect for the Li + HF --> LiF + H reaction 52
Accidental degeneracy of metastable states: double poles of scattering matrix and exceptional points in chemical reactions 52
The A+BC reaction by the hyperquantization algorithm: the symmetric hyperspherical parametrization for J > 0 52
The stereo-dynamics of collisional autoionization of ammonia by helium and neon metastable excited atoms through molecular beam experiments 52
Molecular Beam Scattering of Aligned Oxygen Molecules. The nature of the Bond in the O2-O2 Dimer 51
Angular momentum orientation of the productsof the chemical reaction F + HD 51
Potential energy surfaces for F-H2 and Cl-H2: Long Range Interactions and Nonadiabatic Couplings 51
Ab initio dynamics of the He+H2+ --> HeH+ + H reaction: a new potential energy surface and quantum mechanical cross sections 51
A semiclassical approach to resonances and interferences effects in chemical reactions 51
Angular and hyperangualar momentum in chemical dynamics 51
Exploring the accuracy level of new potential energy surfaces forthe F + HD reactions: from exact quantum rate constants to the state-to-state reaction dynamics 49
Stereodynamics in the Collisional Autoionization of Water, Ammonia, and Hydrogen Sulfide with Metastable Rare Gas Atoms: Competition Between Intermolecular Halogen and Hydrogen Bonds 49
Exact activation energies and phenomenological description of quantum tunneling for model potential energy surfaces. The F + H2 reaction at low temperature 48
Dynamics of elementary chemical processes: the reaction radius approach 48
Quantum theory of chemical reactions: potential energy surfaces, resonances, cross sections, rate constants 47
Angular momentum polarization of molecules in the F+HD chemical reaction 47
Reactive Scattering by Hyperquantization 47
Stereoselectivity in Autoionization Reactions of Hydrogenated Molecules by Metastable Noble Gas Atoms: The Role of Electronic Couplings 47
Stereodirected discrete bases in hindered rotor problems: atom-diatom and pendular states 46
Angular and hyperangular momentum in atomic and molecular collision theory 46
Resonances in chemical reactions 45
Coordinates and hamiltonians for tetra- and polyatomic systems 45
Structure and charge transfer dynamics of the (Ar-N2)+ molecular cluster 45
Discrete analogs of hyperspherical harmonics and their use for the quantum mechanical three-body problem 45
Kinematic rotations for four-centre reactions: Mapping tetra-atomic potential energy surfaces on the kinetic sphere 44
Isotope effects in Hydrogen and Muonium exchange processes 44
Hyperangular momentum: Applications to atomic and molecular science 44
Close coupling calculations using stereodirected representation 44
Benchmark Quantum Mechanical Calculations of Vibrationally Resolved Cross Sections and Rate Constants on ab Initio Potential Energy Surfaces for the F + HD Reaction: Comparisons with Experiments 44
Lifetime of reactive scattering resonances: Q-matrix analysis and angular momentum dependence for the F + H2 reaction by the hyperquantization algorithm 43
Interacting resonances in the F+H2 reaction revisited: Complex terms, Riemann surfaces and angular distributions 43
On the origin of the forward peak and backward oscillations in the F + H2(v=0) --> HF(v'=2)+H reaction 42
La matrice di scattering nelle collisioni reattive: dalle risonanze alle costanti di velocita' 42
Quantum behavior at a cusp, or how wave mechanics avoids a catastrophe 42
Semiclassical analysis of Henon-Heiles coupled oscillators: quasi-periodic and chaotic quantum behavior and the resonance model of unimolecular decay 42
The hyperquantization algorithm: the use of discrete analogs of hypeprspherical harmonics for reactive scattering 42
Hyperspherical analysis of elementary chemical reactions 42
The role of intermolecular and intramolecular vibrational energy transfer in elementary chemical reactions 42
Interactions of 2P atoms with closed-shell diatomic molecules: alternative diabatic representations for the electronic anisotropy 41
Theory of reactive collisions: the hyperspherical approach 41
Risonanze e interferenze nella teoria delle reazioni chimiche 41
Benchmark rate constants by the hyperquantization algorithm. The F + H2 reaction for various potential energy surfaces: features of the entrance channel and of the transition state, and low temperature reactivity 41
Scattering matrix in reactive collision theory: from resonances to rate constants 40
Theory of three-atom chemical reactions 40
Stereodirected states of weakly bound complexes 40
Polarization of molecular angular momentum in the chemical reactions Li + HF and F + HD 40
Exceptional points in chemical reactions 39
The A+BC reaction by the hyperquantization algorithm including excited surfaces and fine structure 39
Revisiting the potential energy surface for He + H2+ --> HeH+ + H reaction at the full configuration Interaction level 39
On the ridge effect in mode transitions: Semiclassical analysis of the quantum pendulum 39
Coupling schemes and decoupling approximations for inelastic and reactive collisions 39
Oscillatori quantistici accoppiati: Analisi semiclassica dei modi regolari e irregolari 39
Nonadiabatic behaviour in atomic and molecular processes: the ridge effect in mode transitions 39
Resonances and interferences in the theory of chemical reactions 39
Stereodirected Representation in Reactive Collision 39
Stereodynamics from the stereodirected representations of the exact quantum S matrix: the Li + HF -> LiF + H reaction 38
The He + H2+ reaction: a dynamical test on potential energy surfaces for a system exhibiting a pronounced resonance pattern. 38
Quantum Stereodynamics for the Two Product Channels of the F+HD Reaction from Complete Scattering Matrix in the Stereodirected Representation 38
Coalescence of metastable states in chemical reactions:double poles of the scattering matrix and exceptional points 38
Kinetic paths from the hypersperical perspective: ab initio potential energy surface for the O(3P)+H2 reaction 38
Hydrogenic orbitals in momentum space and hyperspherical harmonics. Elliptic sturmian basis sets. 37
Quantum interference scattering of aligned molecules: Bonding in O4 and role of spin coupling 37
Totale 5.232
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Categoria #
all - tutte 34.735
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 34.735
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020600 0 0 0 0 118 8 130 15 186 55 7 81
2020/20211.723 7 161 44 167 496 78 123 3 195 47 143 259
2021/20221.360 23 251 39 63 27 4 7 502 25 60 126 233
2022/20231.924 198 253 11 140 157 215 2 86 794 0 48 20
2023/2024696 42 102 34 10 2 0 105 8 146 27 118 102
2024/2025687 61 245 45 35 301 0 0 0 0 0 0 0
Totale 7.867