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

CAVALLI, Simonetta
 Distribuzione geografica
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Continente #
NA - Nord America 3.078
EU - Europa 2.977
AS - Asia 602
SA - Sud America 3
OC - Oceania 2
AF - Africa 1
Continente sconosciuto - Info sul continente non disponibili 1
Totale 6.664
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Nazione #
US - Stati Uniti d'America 3.053
UA - Ucraina 968
IE - Irlanda 609
SE - Svezia 408
VN - Vietnam 239
HK - Hong Kong 231
FI - Finlandia 222
IT - Italia 211
DE - Germania 207
RU - Federazione Russa 161
TR - Turchia 59
GB - Regno Unito 55
FR - Francia 41
CN - Cina 39
CH - Svizzera 28
CA - Canada 24
UZ - Uzbekistan 15
PL - Polonia 14
AT - Austria 12
BE - Belgio 11
GR - Grecia 11
NL - Olanda 11
LB - Libano 9
CZ - Repubblica Ceca 5
SG - Singapore 5
BR - Brasile 3
AU - Australia 2
JP - Giappone 2
KR - Corea 2
CM - Camerun 1
ES - Italia 1
EU - Europa 1
MX - Messico 1
PK - Pakistan 1
RO - Romania 1
SK - Slovacchia (Repubblica Slovacca) 1
Totale 6.664
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Città #
Dublin 609
Chandler 530
Jacksonville 470
San Mateo 438
Dong Ket 239
Hong Kong 231
Medford 190
Princeton 190
Wilmington 145
Andover 105
Ann Arbor 98
Altamura 91
Lawrence 84
Izmir 59
Saint Petersburg 52
Perugia 43
Des Moines 39
Norwalk 37
Beijing 35
Helsinki 33
Ottawa 22
Boardman 21
Redmond 21
San Paolo di Civitate 21
Ashburn 20
Woodbridge 18
New York 16
Auburn Hills 15
Moscow 12
Brussels 11
Lausanne 11
Den Haag 9
Dearborn 8
Houston 6
Kraków 6
Kiev 5
Los Angeles 5
Falls Church 4
Rome 4
Città Di Castello 3
Frankfurt Am Main 3
Fremont 3
Lappeenranta 3
Nürnberg 3
Philadelphia 3
Prato 3
Redwood City 3
San Secondo 3
Shanghai 3
Simi Valley 3
Singapore 3
Trento 3
Bastia 2
Campbell 2
Reno 2
Barletta 1
Bologna 1
Bratislava 1
Capelle 1
Chieti 1
Corciano 1
Duncan 1
Fairfield 1
Florence 1
Foligno 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
Québec 1
Salt Lake City 1
San Diego 1
Scuola 1
Serra 1
Shibuya 1
Southampton 1
Stockholm 1
Terni 1
Timisoara 1
Toronto 1
Warsaw 1
Würzburg 1
Zurich 1
Totale 4.035
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Nome #
Adiabatic and post-adiabatic representations for multichannel Schroedinger equations 89
Asymptotic (semiclassical) equivalence of Schroedinger equations with singular potentials and for related systems of two first order equations 87
Angular and hyperangular momentum momentum recoupling, harmonic superposition and Racah polynomials. A recursive algorithm 86
Reactive dynamics from the hyperspherical perspective: ab initio potential energy surface and kinetic paths for the O (3P) + H2 reaction 84
Theoretical Reaction Kinetics Astride the Transition between Moderate and Deep Tunneling Regimes: The F + HD Case 83
Nonadiabatic effects in the hyperspherical description of elementary chemical reactions 77
HYPERQUANTIZATION ALGORITHM. I.THEORY FOR TRIATOMIC SYSTEMS 75
Hyperspherical coordinates for chemical reaction dynamics 70
Unimolecular dissociation and resonances: Adiabatic, sudden and statistical limits, and a comparison with RRKM and quantum model calculations for formaldehyde 68
Alternative Sturmian bases and momentum space orbitals: an application to the hydrogen molecular ion 65
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 64
Hyperspherical adiabatic description of interference effects and resonances in collinear chemical reactions 61
The d-dimensional hydrogen atom: hyperspherical harmonics as momentum space orbitals and alternative Sturmians basis sets 60
HYPERQUANTIZATION ALGORITHM: II. IMPLEMENTATION FOR THE F + H2 REACTION DYNAMICS INCLUDING OPEN-SHELL AND SPIN-ORBIT INTERACTION 60
Dynamics on reactive potential energy surfaces from the hyperspherical perspective 59
Advances in Hyperspherical and Related Approaches to the Dynamics of Reactions and of Nanoclusters 59
Body Frames and Frame Singularities for Three-Atom Systems 58
Hydrogenoid orbitals revisited: from Slater orbitals to Coulomb Sturmians 58
Benchmark dynamics for prototypical triatomic systems by hyperquantization algorithm 57
Spettroscopia elettronica dello stato di transizione dei processi di autoionizzazione collisionale 57
Multisurface reactive dynamics theory by hyperquantization on new potential energy surfaces for F + H2 system 56
Asymptotic (short-wave) equivalence of one-dimensional Schrodinger equations by formal canonical transformations and its generalizations 56
Probabilities for the F + H2 --> HF + H reaction by the Hyperquantization Algorithm : Alternative sequential diagonalization schemes 56
Coordinates for Molecular Dynamics: Orthogonal Local Systems 53
Angular momentum coupling schemes for molecular collisions: the stereodirected representation 53
Ab initio dynamics of the He + H2+ -->HeH+ + H reaction: A new potential energy surface and quantum mechanical cross sections 52
Theory of electronically non-adiabatic reactions: rotational, Coriolis, spin-orbit coupling and the hyperquantization algorithm 51
Internal Spaces, Kinematic Rotations and Body Frames for Four-Atom Systems 51
Angular and hyperangular momentum coupling coefficients as Hahn polynomials 51
The F + H2 and Cl + H2 potential energy surfaces at long range, including open-shell and spin-orbit effects 50
The quantum-mechanical hamiltonian for tetra-atomic systems in symmetric hyperspherical coordinates 50
On the origin of the forward peak and backward oscillations in the F+H2(v=0) --> HF(v'=2) + H reaction 49
Hyperspherical coordinates for molecular dynamics by the method of trees and the mapping of potential energy surface for triatomic systems 48
The A+BC reaction by the hyperquantization algorithm: the symmetric hyperspherical parametrization for J > 0 48
Adiabatic and diabatic representations for reactive scattering with the hyperspherical formalism 48
Molecular Beam Scattering of Aligned Oxygen Molecules. The nature of the Bond in the O2-O2 Dimer 47
Accidental degeneracy of metastable states: double poles of scattering matrix and exceptional points in chemical reactions 47
Exact quantum stereodynamics: the steric effect for the Li + HF --> LiF + H reaction 46
Hyperspherical symmetry of hydrogenic orbitals and recoupling coefficients among alternative bases 46
A semiclassical approach to the dynamics of chemical reactions within the hyperspherical formalism 46
Angular momentum orientation of the productsof the chemical reaction F + HD 46
Potential energy surfaces for F-H2 and Cl-H2: Long Range Interactions and Nonadiabatic Couplings 46
Ab initio dynamics of the He+H2+ --> HeH+ + H reaction: a new potential energy surface and quantum mechanical cross sections 46
The stereo-dynamics of collisional autoionization of ammonia by helium and neon metastable excited atoms through molecular beam experiments 46
A semiclassical approach to resonances and interferences effects in chemical reactions 45
Potential energy surfaces for the benzene-rare gas systems 44
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 44
Angular and hyperangualar momentum in chemical dynamics 44
Angular momentum polarization of molecules in the F+HD chemical reaction 43
Quantum theory of chemical reactions: potential energy surfaces, resonances, cross sections, rate constants 42
Exact activation energies and phenomenological description of quantum tunneling for model potential energy surfaces. The F + H2 reaction at low temperature 42
Reactive Scattering by Hyperquantization 42
Stereodynamics in the Collisional Autoionization of Water, Ammonia, and Hydrogen Sulfide with Metastable Rare Gas Atoms: Competition Between Intermolecular Halogen and Hydrogen Bonds 42
Stereodirected discrete bases in hindered rotor problems: atom-diatom and pendular states 41
Hyperangular momentum: Applications to atomic and molecular science 40
Coordinates and hamiltonians for tetra- and polyatomic systems 40
Structure and charge transfer dynamics of the (Ar-N2)+ molecular cluster 40
Dynamics of elementary chemical processes: the reaction radius approach 40
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 40
Stereoselectivity in Autoionization Reactions of Hydrogenated Molecules by Metastable Noble Gas Atoms: The Role of Electronic Couplings 40
Isotope effects in Hydrogen and Muonium exchange processes 39
Resonances in chemical reactions 39
Lifetime of reactive scattering resonances: Q-matrix analysis and angular momentum dependence for the F + H2 reaction by the hyperquantization algorithm 39
Quantum behavior at a cusp, or how wave mechanics avoids a catastrophe 39
Interacting resonances in the F+H2 reaction revisited: Complex terms, Riemann surfaces and angular distributions 39
The role of intermolecular and intramolecular vibrational energy transfer in elementary chemical reactions 39
Angular and hyperangular momentum in chemical dynamics 39
Close coupling calculations using stereodirected representation 39
Kinematic rotations for four-centre reactions: Mapping tetra-atomic potential energy surfaces on the kinetic sphere 38
Discrete analogs of hyperspherical harmonics and their use for the quantum mechanical three-body problem 38
Hyperspherical analysis of elementary chemical reactions 38
Angular and hyperangular momentum in atomic and molecular collision theory 38
La matrice di scattering nelle collisioni reattive: dalle risonanze alle costanti di velocita' 37
Semiclassical analysis of Henon-Heiles coupled oscillators: quasi-periodic and chaotic quantum behavior and the resonance model of unimolecular decay 37
The hyperquantization algorithm: the use of discrete analogs of hypeprspherical harmonics for reactive scattering 37
Theory of reactive collisions: the hyperspherical approach 37
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 37
Interactions of 2P atoms with closed-shell diatomic molecules: alternative diabatic representations for the electronic anisotropy 36
On the origin of the forward peak and backward oscillations in the F + H2(v=0) --> HF(v'=2)+H reaction 35
Scattering matrix in reactive collision theory: from resonances to rate constants 35
Exceptional points in chemical reactions 35
Theory of three-atom chemical reactions 35
Nonadiabatic behaviour in atomic and molecular processes: the ridge effect in mode transitions 35
Kinetic paths from the hypersperical perspective: ab initio potential energy surface for the O(3P)+H2 reaction 35
Stereodirected Representation in Reactive Collision 35
Risonanze e interferenze nella teoria delle reazioni chimiche 35
Polarization of molecular angular momentum in the chemical reactions Li + HF and F + HD 35
Stereodynamics from the stereodirected representations of the exact quantum S matrix: the Li + HF -> LiF + H reaction 34
Revisiting the potential energy surface for He + H2+ --> HeH+ + H reaction at the full configuration Interaction level 34
On the ridge effect in mode transitions: Semiclassical analysis of the quantum pendulum 34
Stereodirected states of weakly bound complexes 34
The A+BC reaction by the hyperquantization algorithm including excited surfaces and fine structure 33
Hydrogenic orbitals in momentum space and hyperspherical harmonics. Elliptic sturmian basis sets. 33
The He + H2+ reaction: a dynamical test on potential energy surfaces for a system exhibiting a pronounced resonance pattern. 33
Quantum chemical and dynamical approaches to Intra and Intermolecular Kinetics: The CnH2nO (n = 1, 2, 3) Molecules 33
Coupling schemes and decoupling approximations for inelastic and reactive collisions 33
Oscillatori quantistici accoppiati: Analisi semiclassica dei modi regolari e irregolari 33
Resonances and interferences in the theory of chemical reactions 33
Hyperspherical analysis of kinetic paths for elementary chemical reactions and their angular momentum dependence 33
Lifetime matrix analysis of reactive reonances by the hyperquantization algorithm 32
Totale 4.666
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Categoria #
all - tutte 25.228
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 25.228
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2018/201986 0 0 0 0 0 0 0 0 0 6 70 10
2019/2020745 15 3 122 5 118 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
2023/2024461 42 102 34 10 2 0 105 8 146 12 0 0
Totale 6.945