SFERA Archivio dei prodotti della Ricerca dell'Università di Ferrara

ANGELI, Celestino
 Distribuzione geografica
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Continente #
NA - Nord America 13.257
AS - Asia 6.149
EU - Europa 3.431
SA - Sud America 990
Continente sconosciuto - Info sul continente non disponibili 184
AF - Africa 140
OC - Oceania 11
Totale 24.162
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Nazione #
US - Stati Uniti d'America 13.005
SG - Singapore 2.144
CN - Cina 1.675
DE - Germania 798
BR - Brasile 749
UA - Ucraina 626
VN - Vietnam 617
HK - Hong Kong 524
IT - Italia 499
TR - Turchia 415
GB - Regno Unito 400
FR - Francia 245
RU - Federazione Russa 191
FI - Finlandia 184
JP - Giappone 173
BD - Bangladesh 149
SE - Svezia 137
IN - India 117
MX - Messico 114
CA - Canada 108
AR - Argentina 95
PL - Polonia 92
IQ - Iraq 59
ES - Italia 56
ID - Indonesia 49
ZA - Sudafrica 42
CO - Colombia 38
NL - Olanda 35
VE - Venezuela 34
BE - Belgio 30
EC - Ecuador 29
IE - Irlanda 29
PK - Pakistan 27
PH - Filippine 23
SA - Arabia Saudita 22
MY - Malesia 21
MA - Marocco 20
UZ - Uzbekistan 20
KR - Corea 19
CH - Svizzera 18
KE - Kenya 16
AT - Austria 15
TN - Tunisia 14
CL - Cile 13
LT - Lituania 13
EG - Egitto 12
AE - Emirati Arabi Uniti 11
HU - Ungheria 11
LB - Libano 11
PE - Perù 10
JO - Giordania 9
RO - Romania 9
AU - Australia 8
ET - Etiopia 8
JM - Giamaica 8
PY - Paraguay 8
BO - Bolivia 7
KZ - Kazakistan 7
OM - Oman 7
UY - Uruguay 7
DZ - Algeria 6
GT - Guatemala 6
IL - Israele 6
NP - Nepal 6
PT - Portogallo 6
NA - Namibia 5
TH - Thailandia 5
AL - Albania 4
CR - Costa Rica 4
CZ - Repubblica Ceca 4
HN - Honduras 4
PS - Palestinian Territory 4
SK - Slovacchia (Repubblica Slovacca) 4
AM - Armenia 3
BG - Bulgaria 3
CG - Congo 3
DO - Repubblica Dominicana 3
GR - Grecia 3
HR - Croazia 3
KG - Kirghizistan 3
NO - Norvegia 3
QA - Qatar 3
RS - Serbia 3
TW - Taiwan 3
AO - Angola 2
AZ - Azerbaigian 2
DK - Danimarca 2
IR - Iran 2
KW - Kuwait 2
MD - Moldavia 2
NI - Nicaragua 2
NZ - Nuova Zelanda 2
SN - Senegal 2
SY - Repubblica araba siriana 2
TL - Timor Orientale 2
ZM - Zambia 2
A2 - ???statistics.table.value.countryCode.A2??? 1
AD - Andorra 1
BA - Bosnia-Erzegovina 1
BH - Bahrain 1
Totale 23.957
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Città #
Singapore 1.391
Fairfield 1.385
Woodbridge 1.261
Ashburn 1.240
Houston 941
Jacksonville 705
San Jose 629
Ann Arbor 626
Santa Clara 619
Chandler 585
Hong Kong 514
Seattle 504
Beijing 502
Wilmington 473
Cambridge 439
Izmir 260
Ho Chi Minh City 197
Dallas 188
Nanjing 182
New York 169
Tokyo 158
Princeton 153
Hanoi 144
Los Angeles 143
San Diego 142
Boardman 135
Lauterbourg 135
Council Bluffs 102
Warsaw 81
Ferrara 78
Nanchang 73
São Paulo 73
Addison 71
Mexico City 68
Munich 66
Moscow 63
The Dalles 56
Tianjin 55
Menlo Park 51
Shenyang 49
London 44
Milan 44
Chicago 42
Orem 41
Atlanta 40
Toronto 40
Shanghai 39
Brooklyn 37
Denver 36
Hefei 35
Jiaxing 35
Changsha 34
Haiphong 33
Hebei 33
Da Nang 32
Stockholm 32
Falkenstein 31
Helsinki 29
Rio de Janeiro 29
Barcelona 28
Brussels 28
Montreal 28
Redwood City 28
Chennai 27
Rome 27
Bologna 25
Columbus 25
Mountain View 25
Rennes 25
Zhengzhou 25
Falls Church 24
Frankfurt am Main 24
Jakarta 24
San Francisco 22
Baghdad 21
Johannesburg 21
Jinan 20
Ankara 19
Kunming 19
Buffalo 18
Guangzhou 18
Indiana 18
Phoenix 18
Verona 18
Boston 17
Des Moines 17
Manchester 17
Medellín 17
Norwalk 17
Tashkent 17
Belo Horizonte 16
Amsterdam 15
Brasília 15
Curitiba 15
Hangzhou 15
San Mateo 14
Tappahannock 14
Turku 14
Auburn Hills 13
Nuremberg 13
Totale 16.213
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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 380
FRODO program for Mathematica 255
A CASSCF theoretical study of the vibrational frequencies and structure of formaldehyde, acetaldehyde and acetone valence excited states 254
An application of second and third-order n-electron valence state perturbation theory to the calculation of the vertical electronic spectrum of furan 251
A multireference n-electron Valence State Perturbation Theory study of the electronic spectrum of s-tetrazine 246
Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds? 244
A multireference perturbation theory study on the vertical electronic spectrum of thiophene 242
DALTON Release 2 Program 239
A comparison of various approaches in internally contracted multireference configuration interaction: the carbon dimer as a test case 239
A Simple Approximate Perturbation Approach to Quasi-degenerate Systems 238
Application of a “charge-averaged” second order Multireference Perturbation Theory strategy to the study of a model Mixed-Valence compound. 238
A convenient decontraction procedure of internally contracted state-specific multireference algorithms 237
The vertical electronic spectrum of pyrrole: A second and third order n-electron valence state perturbation theory study 234
A quasidegenerate formulation of the second order n-electron valence state perturbation theory approach 232
A theoretical study of BeN linear chains: Variational and perturbative approaches 225
The "fermi hole" and the correlation introduced by the symmetrization or the anti-symmetrization of the wave function 225
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 222
A surface hopping study of energy transfer in Na + Cd* collisions 220
A computational study of salt diffusion and heat extraction in solar pond plants 216
An ab initio multireference perturbation theory study on the manganese dimer 216
A one-dimensional numerical study of the salt diffusion in a salinity-gradient solar pond 215
A priori complete active space self consistent field localized orbitals: an application on linear polyenes 215
A multireference perturbation theory study on the Fe2 molecule: in quest of the ground state 211
New perspectives in multireference perturbation theory: the n-electron valence state approach 209
OpenMolcas: From Source Code to Insight 206
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 200
Assessment of Multireference Perturbation Methods for Chemical Reaction Barrier Heights 199
Metal-ligand delocalization and spin density in the CuCl2 and [CuCl4]2- molecules: Some insights from wave function theory 198
Third-order multireference perturbation theory: the n-electron valence state perturbation theory approach 197
DALTON2011 Program 197
Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States 196
Electronic reorganization triggered by electron transfer: The intervalence charge transfer of a Fe3+/Fe2+bimetallic complex 193
A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves 193
Ab initio n-electron valence state perturbation theory study of the adiabatic transitions in carbonyl molecules: formaldehyde, acetaldehyde and acetone 192
The effect of the basis-set superposition error on the calculation of dispersion interactions: a test study on the neon dimer 190
Developments in the n-electron valence state perturbation theory 188
Common Format for Quantum Chemistry Interoperability: Q5Cost Format and Library 187
The Spin-Partitioned Total-Position Spread Tensor: An Application to Diatomic Molecules 183
An application of second-order n-electron valence state perturbation theory to the calculation of excited states 182
Photoionization of furan from the ground and excited electronic states 181
The problem of interoperability: a common data format for Quantum Chemistry codes 180
FORTRAN interface for code interoperability in Quantum chemistry: The Q5cost library 177
Optical absorption spectrum of the N3 solar cell sensitizer by second-order multireference perturbation theory 177
The calculation of the correlation energy in ground and excited states: the n-electron valence state perturbation theory approach. 175
N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant 174
A novel perturbation-based CAS-SCF algorithm: application to the direct calculation of localized orbitals 174
Spin density and orbital optimization in open shell systems: A rational and computationally efficient proposal 174
Charge-displacement analysis for excited states 173
Threshold photoionization study of Fe(CO)5 versus ab-initio calculations 171
Unravelling the luminescence spectrum of garnet grossular var. tsavorite: The role of chromium (III), manganese (II) and misattribution of vanadium (II) 170
On the controversial nature of the 1 1Bu and 2 1Bu states of trans-stilbene: The n -electron valence state perturbation theory approach 169
Calibration of the n-electron valence state perturbation theory approach 169
Multireference perturbation C.I. III. Fast evaluation of the one-particle density matrix 168
The effect of thermodiffusion on the stability of a salinity gradient solar pond 168
FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions 168
Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model 167
Multiple complete active space self-consistent field solutions 167
Aromaticity: an ab Initio Evaluation of the Properly Cyclic Delocalization Energy and the π-Delocalization Energy Distortivity of Benzene 166
“Caging” Anions through Crystal Engineering to Avoid Polymerization: Structural, Conformational and Theoretical Investigations of New Halocadmate [Cd2X7]3– Anions (X = Cl/Br) 166
The role of the magnetic orbitals in the calculation of the magnetic coupling constants from multireference perturbation theory methods 165
Ground state of the Mo2, W2 and MoCr molecules: a second and third order multireference perturbation theory study 164
Kmonodim: a Program for the Numerical Solution of the One-Dimensional Schroedinger Equation 164
On the relative merits of non-orthogonal and orthogonal Valence Bond methods illustrated on the hydrogen molecule 163
NEVPT2 perturbation theory: applications to valence and Rydberg excited states of formaldehyde. 163
Metal-to-metal charge-transfer transitions: reliable excitation energies from ab initio calculations 163
Computation of the Isotropic Hyperfine Coupling Constant: Efficiency and Insights from a New Approach Based on Wave Function Theory 163
Multireference perturbation C.I. I. Extrapolation procedures with CAS or selected zero-order spaces 162
On the nature of the π -> π* ionic excited states: The V state of ethene as a prototype 162
Quasi--diabatic and adiabatic states and potential energy curves for Na-Cd collisions and excimer formation 161
Analysis of the magnetic coupling in binuclear systems. III. The role of the ligand to metal charge transfer excitations revisited 161
Multireference perturbation CI II: selection of the zero-order space 159
Geometry optimization within a localized CAS-SCF approach 159
On the Maxwell−Stefan Approach to Diffusion: A General Resolution in the Transient Regime for One-Dimensional Systems 158
Excitation energies of retinal chromophores: critical role of the structural model 158
The Møller–Plesset perturbation revisited: origin of high-order divergences 157
Beryllium-Dimer: a Bond Based on Non-Dynamical Correlation 156
Influence of the interaction potential and of the temperature on the thermodiffusion (Soret) coefficient in a model system 156
N-electron valence state perturbation theory: a spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants 155
Temperature and composition dependence of the Soret coefficient in Lennard-Jones mixtures presenting evaporation/condensation phase transition 155
The localization tensor for the H2 molecule: Closed formulae for the Heitler-London and related wavefunctions and comparison with full configuration interaction 155
Dynamical photoionization observables of the CS molecule: The role of electron correlation 155
Temperature and composition dependence of the Soret coefficient in Lennard-Jones mixtures presenting consolute critical phenomena 154
An analysis of the dynamic sigma polarization in the V state of ethene 154
The electronic structure of Ullman's biradicals: an orthogonal valence bond interpretation 154
Theoretical study of Na(4p2P) + Na(3s2P) and Cd(5p3P0) + Na(3s2S) collisions and their role in the energy transfer between Cd* and Na 153
Multireference perturbation CI IV. Selection procedure for one-electron properties 153
The use of local orbitals in multireference calculations 153
Local orbitals for quasi-degenerate systems 153
Bond electron pair: its relevance and analysis from the quantum chemistry point of view 153
Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group 152
Extending the active space in multireference configuration interaction calculations of magnetic coupling constants 148
On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes 147
Joint Meeting of the Physical Chemistry and Electrochemistry Divisions of the Italian Chemical Society 146
Introduction of n-electron valence states for multireference perturbation theory 146
Analysis of the magnetic coupling in nitroxide organic biradicals 146
Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program 145
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model 144
TRATTAMENTO DI ACQUE CONTAMINATE DA IDROCARBURI MEDIANTE ZEOLITI: SELETTIVITÀ DI ADSORBIMENTO IN PRESENZA DI CONTAMINANTI IN MISCELA. 143
A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function 143
Magnetic behaviour vs. structural changes in a isomeric series of binuclear copper(II) complexes: an experimental and theoretical study 142
Totale 18.381
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Categoria #
all - tutte 108.550
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 1.254
Totale 109.804
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
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
2024/20252.645 72 178 236 47 343 290 31 206 372 250 358 262
2025/20268.477 619 465 744 1.247 1.110 504 813 452 971 1.059 290 203
2026/2027289 289 0 0 0 0 0 0 0 0 0 0 0
Totale 24.162