SFERA Archivio dei prodotti della Ricerca dell'Università di Ferrara

ANGELI, Celestino
 Distribuzione geografica
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Continente #
NA - Nord America 9.322
EU - Europa 2.219
AS - Asia 1.590
SA - Sud America 6
AF - Africa 5
Continente sconosciuto - Info sul continente non disponibili 2
OC - Oceania 2
Totale 13.146
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Nazione #
US - Stati Uniti d'America 9.309
CN - Cina 860
DE - Germania 601
UA - Ucraina 596
TR - Turchia 357
SG - Singapore 302
GB - Regno Unito 294
IT - Italia 287
FI - Finlandia 148
SE - Svezia 102
PL - Polonia 47
FR - Francia 31
IE - Irlanda 29
BE - Belgio 26
ID - Indonesia 20
JP - Giappone 15
CA - Canada 13
CH - Svizzera 11
HK - Hong Kong 10
VN - Vietnam 8
RU - Federazione Russa 7
IN - India 6
KR - Corea 6
AT - Austria 5
CZ - Repubblica Ceca 4
NA - Namibia 4
RO - Romania 4
AR - Argentina 3
ES - Italia 3
HU - Ungheria 3
LT - Lituania 3
SK - Slovacchia (Repubblica Slovacca) 3
BG - Bulgaria 2
BR - Brasile 2
GR - Grecia 2
NL - Olanda 2
PT - Portogallo 2
A2 - ???statistics.table.value.countryCode.A2??? 1
AL - Albania 1
AU - Australia 1
CO - Colombia 1
DK - Danimarca 1
EU - Europa 1
HR - Croazia 1
IL - Israele 1
IR - Iran 1
IS - Islanda 1
KW - Kuwait 1
KZ - Kazakistan 1
LK - Sri Lanka 1
MD - Moldavia 1
NO - Norvegia 1
NZ - Nuova Zelanda 1
PH - Filippine 1
SI - Slovenia 1
ZA - Sudafrica 1
Totale 13.146
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Città #
Fairfield 1.385
Woodbridge 1.261
Houston 922
Jacksonville 702
Ann Arbor 626
Chandler 585
Ashburn 550
Seattle 497
Wilmington 471
Cambridge 439
Izmir 260
Singapore 233
Nanjing 182
Princeton 153
San Diego 141
Boardman 135
Beijing 134
Addison 71
Nanchang 71
Ferrara 67
New York 59
Los Angeles 55
Menlo Park 51
Shenyang 49
Warsaw 47
Tianjin 42
Jiaxing 35
Santa Clara 35
Shanghai 35
Hebei 33
Changsha 29
Redwood City 28
Brussels 26
Mountain View 25
Falls Church 24
London 22
Zhengzhou 22
Jakarta 20
Milan 19
Indiana 18
Jinan 18
Kunming 18
Norwalk 17
Des Moines 16
Bologna 15
San Mateo 14
Tappahannock 14
Verona 14
Auburn Hills 13
Guangzhou 10
Zurich 10
Espoo 9
Ningbo 9
Philadelphia 9
Dearborn 8
Hangzhou 8
Hong Kong 8
Orange 8
Toronto 8
Changchun 7
Helsinki 7
Lanzhou 7
Rome 7
Serra 7
Washington 7
Dong Ket 6
Frankfurt am Main 6
Munich 6
Redmond 6
Wuhan 6
Mülheim An Der Ruhr 5
Rancho Cucamonga 5
Shenzhen 5
Acton 4
Bremen 4
Haikou 4
Hounslow 4
Modena 4
Ottawa 4
Pisa 4
Taizhou 4
Tokyo 4
Bend 3
Budapest 3
Buffalo 3
Cheongju-si 3
Chicago 3
Florence 3
Kilburn 3
Lappeenranta 3
Limbiate 3
Napoli 3
Olomouc 3
Prescot 3
Prineville 3
Yellow Springs 3
Yokohama 3
Basovizza 2
Bratislava 2
Chiswick 2
Totale 9.959
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Nome #
New Finding of Andradite (Demantoid Variety) from the Mine of Sa Spinarbedda, Domus De Maria (Cagliari): Mineralogical Characterization and Spectroscopy Analysis 214
Electronic reorganization triggered by electron transfer: The intervalence charge transfer of a Fe3+/Fe2+bimetallic complex 139
The vertical electronic spectrum of pyrrole: A second and third order n-electron valence state perturbation theory study 139
Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds? 134
A multireference n-electron Valence State Perturbation Theory study of the electronic spectrum of s-tetrazine 132
Metal-Metal Interactions in Trinuclear Copper(II) Complexes [Cu3(RCOO)4(H2TEA)2] and Binuclear [Cu2(RCOO)2(H2TEA)2]. Syntheses and Combined Structural, Magnetic, High-Field Electron Paramagnetic Resonance, and Theoretical Studies 131
A CASSCF theoretical study of the vibrational frequencies and structure of formaldehyde, acetaldehyde and acetone valence excited states 130
Application of a “charge-averaged” second order Multireference Perturbation Theory strategy to the study of a model Mixed-Valence compound. 130
Assessment of Multireference Perturbation Methods for Chemical Reaction Barrier Heights 130
An application of second and third-order n-electron valence state perturbation theory to the calculation of the vertical electronic spectrum of furan 127
A computational study of salt diffusion and heat extraction in solar pond plants 126
A Simple Approximate Perturbation Approach to Quasi-degenerate Systems 125
A surface hopping study of energy transfer in Na + Cd* collisions 125
A one-dimensional numerical study of the salt diffusion in a salinity-gradient solar pond 125
Highly efficient perturbative + variational strategy based on orthogonal valence bond theory for the evaluation of magnetic coupling constants. Application to the trinuclear Cu(II) site of multicopper oxidases 125
A multireference perturbation theory study on the vertical electronic spectrum of thiophene 123
FRODO program for Mathematica 123
A quasidegenerate formulation of the second order n-electron valence state perturbation theory approach 120
Third-order multireference perturbation theory: the n-electron valence state perturbation theory approach 120
Metal-ligand delocalization and spin density in the CuCl2 and [CuCl4]2- molecules: Some insights from wave function theory 120
The calculation of the correlation energy in ground and excited states: the n-electron valence state perturbation theory approach. 119
An ab initio multireference perturbation theory study on the manganese dimer. 118
The "fermi hole" and the correlation introduced by the symmetrization or the anti-symmetrization of the wave function 117
Ab initio n-electron valence state perturbation theory study of the adiabatic transitions in carbonyl molecules: formaldehyde, acetaldehyde and acetone 116
A priori complete active space self consistent field localized orbitals: an application on linear polyenes 116
The Spin-Partitioned Total-Position Spread Tensor: An Application to Diatomic Molecules 115
A comparison of various approaches in internally contracted multireference configuration interaction: the carbon dimer as a test case 114
A convenient decontraction procedure of internally contracted state-specific multireference algorithms 114
Analysis of the magnetic coupling in binuclear systems. III. The role of the ligand to metal charge transfer excitations revisited 114
Common Format for Quantum Chemistry Interoperability: Q5Cost Format and Library 113
A multireference perturbation theory study on the Fe2 molecule: in quest of the ground state 113
Photoionization of furan from the ground and excited electronic states 113
Metal-to-metal charge-transfer transitions: reliable excitation energies from ab initio calculations 113
Threshold photoionization study of Fe(CO)5 versus ab-initio calculations 112
The effect of the basis-set superposition error on the calculation of dispersion interactions: a test study on the neon dimer 111
On the controversial nature of the 1 1Bu and 2 1Bu states of trans-stilbene: The n-electron valence state perturbation theory approach. 110
New perspectives in multireference perturbation theory: the n-electron valence state approach 110
An application of second-order n-electron valence state perturbation theory to the calculation of excited states 110
A theoretical study of BeN linear chains: Variational and perturbative approaches 110
N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant 109
“Caging” Anions through Crystal Engineering to Avoid Polymerization: Structural, Conformational and Theoretical Investigations of New Halocadmate [Cd2X7]3– Anions (X = Cl/Br) 109
Aromaticity: an ab Initio Evaluation of the Properly Cyclic Delocalization Energy and the π-Delocalization Energy Distortivity of Benzene 108
FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions 108
Quasi--diabatic and adiabatic states and potential energy curves for Na-Cd collisions and excimer formation 107
Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model 107
N-electron valence state perturbation theory: a spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants 105
On the relative merits of non-orthogonal and orthogonal Valence Bond methods illustrated on the hydrogen molecule 105
Temperature and composition dependence of the Soret coefficient in Lennard-Jones mixtures presenting evaporation/condensation phase transition 104
Calibration of the n-electron valence state perturbation theory approach 104
The Møller–Plesset perturbation revisited: origin of high-order divergences 103
Multireference perturbation CI IV. Selection procedure for one-electron properties 103
The effect of thermodiffusion on the stability of a salinity gradient solar pond 103
On the nature of the π -> π* ionic excited states: The V state of ethene as a prototype 103
Multireference perturbation C.I. I. Extrapolation procedures with CAS or selected zero-order spaces 102
The role of the magnetic orbitals in the calculation of the magnetic coupling constants from multireference perturbation theory methods 102
The localization tensor for the H2 molecule: Closed formulae for the Heitler-London and related wavefunctions and comparison with full configuration interaction 101
Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States 101
Multireference perturbation C.I. III. Fast evaluation of the one-particle density matrix 100
Multireference perturbation CI II: selection of the zero-order space 100
On the Maxwell−Stefan Approach to Diffusion: A General Resolution in the Transient Regime for One-Dimensional Systems 100
Temperature and composition dependence of the Soret coefficient in Lennard-Jones mixtures presenting consolute critical phenomena 100
The problem of interoperability: a common data format for Quantum Chemistry codes 100
Spin density and orbital optimization in open shell systems: A rational and computationally efficient proposal 100
Bond electron pair: its relevance and analysis from the quantum chemistry point of view 100
DALTON Release 2 Program 99
Charge-displacement analysis for excited states 99
Electronic structure investigation of the evanescent AtO+ ion. 99
Analysis of the magnetic coupling in nitroxide organic biradicals 99
Optical absorption spectrum of the N3 solar cell sensitizer by second-order multireference perturbation theory 99
The electronic structure of Ullman's biradicals: an orthogonal valence bond interpretation 98
null 98
The use of local orbitals in multireference calculations 98
Local orbitals for quasi-degenerate systems 98
Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group 97
DALTON2011 Program 96
Influence of the interaction potential and of the temperature on the thermodiffusion (Soret) coefficient in a model system. 96
Extending the active space in multireference configuration interaction calculations of magnetic coupling constants 95
Multiple complete active space self-consistent field solutions 95
On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes. 95
null 95
The behavior of the Position-Spread Tensor in Diatomic Systems 94
FORTRAN interface for code interoperability in Quantum chemistry: The Q5cost library 94
Computer assisted generation of the matrix elements between contracted wavefunctions in a Complete Active Space scheme 94
Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program 94
Geometry optimization within a localized CAS-SCF approach 93
Beryllium-Dimer: a Bond Based on Non-Dynamical Correlation 93
Dynamical photoionization observables of the CS molecule: The role of electron correlation 92
Excitation energies of retinal chromophores: critical role of the structural model 90
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model 90
A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves 89
Non-orthogonal and orthogonal valence bond wavefunctions in the hydrogen molecule: the diabatic view 88
The lowest singlet states of octatetraene revisited 87
null 85
null 85
TRATTAMENTO DI ACQUE CONTAMINATE DA IDROCARBURI MEDIANTE ZEOLITI: SELETTIVITÀ DI ADSORBIMENTO IN PRESENZA DI CONTAMINANTI IN MISCELA. 83
Developments in the n-electron valence state perturbation theory 83
Magnetic behaviour vs. structural changes in a isomeric series of binuclear copper(II) complexes: an experimental and theoretical study 82
Theoretical study of Na(4p2P) + Na(3s2P) and Cd(5p3P0) + Na(3s2S) collisions and their role in the energy transfer between Cd* and Na 81
Physical interpretation of Koopmans' theorem: a cricticism to the current didactic presentation 81
Quasi-bond orbitals from maximum-localizzation hybrids for ab initio calculations 81
Totale 10.695
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Categoria #
all - tutte 59.493
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 551
Totale 60.044
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20201.874 0 0 0 0 219 327 274 314 262 262 154 62
2020/20211.798 147 175 76 208 72 208 42 241 49 288 192 100
2021/20221.622 109 247 194 28 29 58 110 74 29 119 161 464
2022/20231.368 173 75 36 169 202 226 15 148 185 13 78 48
2023/2024600 83 102 21 25 43 73 24 21 15 22 14 157
2024/2025559 72 178 236 47 26 0 0 0 0 0 0 0
Totale 13.310