SFERA Archivio dei prodotti della Ricerca dell'Università di Ferrara

ANGELI, Celestino
 Distribuzione geografica
Salva come PNG Salva come JPEG
Continente #
NA - Nord America 12.731
AS - Asia 5.962
EU - Europa 3.332
SA - Sud America 981
AF - Africa 140
OC - Oceania 10
Continente sconosciuto - Info sul continente non disponibili 2
Totale 23.158
Salva come PNG Salva come JPEG
Nazione #
US - Stati Uniti d'America 12.515
SG - Singapore 2.098
CN - Cina 1.635
DE - Germania 794
BR - Brasile 745
UA - Ucraina 625
VN - Vietnam 617
HK - Hong Kong 511
IT - Italia 433
TR - Turchia 413
GB - Regno Unito 395
FR - Francia 238
RU - Federazione Russa 191
FI - Finlandia 184
JP - Giappone 172
SE - Svezia 134
IN - India 117
MX - Messico 114
AR - Argentina 93
PL - Polonia 92
CA - Canada 79
BD - Bangladesh 66
IQ - Iraq 59
ES - Italia 52
ID - Indonesia 49
ZA - Sudafrica 42
CO - Colombia 37
NL - Olanda 33
VE - Venezuela 33
BE - Belgio 30
IE - Irlanda 29
EC - Ecuador 28
PK - Pakistan 27
PH - Filippine 23
SA - Arabia Saudita 22
MA - Marocco 20
MY - Malesia 20
UZ - Uzbekistan 20
KR - Corea 18
KE - Kenya 16
AT - Austria 15
CH - Svizzera 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
ET - Etiopia 8
PY - Paraguay 8
AU - Australia 7
BO - Bolivia 7
KZ - Kazakistan 7
OM - Oman 7
RO - Romania 7
UY - Uruguay 7
DZ - Algeria 6
IL - Israele 6
JM - Giamaica 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
KG - Kirghizistan 3
QA - Qatar 3
RS - Serbia 3
TW - Taiwan 3
AO - Angola 2
AZ - Azerbaigian 2
DK - Danimarca 2
GT - Guatemala 2
HR - Croazia 2
IR - Iran 2
KW - Kuwait 2
MD - Moldavia 2
NO - Norvegia 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
BJ - Benin 1
Totale 23.135
Salva come PNG Salva come JPEG
Città #
Fairfield 1.385
Singapore 1.371
Woodbridge 1.261
Ashburn 1.189
Houston 939
Jacksonville 704
Ann Arbor 626
Santa Clara 590
Chandler 585
San Jose 584
Seattle 503
Hong Kong 501
Beijing 486
Wilmington 473
Cambridge 439
Izmir 260
Ho Chi Minh City 197
Dallas 184
Nanjing 182
Tokyo 157
Princeton 153
Hanoi 144
San Diego 142
Los Angeles 136
Boardman 135
Lauterbourg 135
New York 128
Warsaw 81
Ferrara 78
São Paulo 73
Nanchang 72
Addison 71
Mexico City 68
Munich 66
Moscow 63
The Dalles 56
Tianjin 54
Menlo Park 51
Shenyang 49
London 43
Chicago 41
Milan 41
Orem 40
Shanghai 38
Atlanta 36
Brooklyn 36
Hefei 35
Jiaxing 35
Denver 34
Haiphong 33
Hebei 33
Changsha 32
Da Nang 32
Stockholm 32
Falkenstein 31
Helsinki 29
Barcelona 28
Brussels 28
Redwood City 28
Rio de Janeiro 28
Chennai 27
Montreal 26
Mountain View 25
Rennes 25
Zhengzhou 25
Council Bluffs 24
Falls Church 24
Frankfurt am Main 24
Jakarta 24
Bologna 23
Columbus 22
Baghdad 21
Johannesburg 21
Jinan 20
Toronto 20
Ankara 19
Kunming 19
Guangzhou 18
Indiana 18
Des Moines 17
Manchester 17
Medellín 17
Norwalk 17
San Francisco 17
Tashkent 17
Belo Horizonte 16
Boston 16
Verona 16
Amsterdam 15
Brasília 15
Curitiba 15
Hangzhou 15
Phoenix 14
Rome 14
San Mateo 14
Tappahannock 14
Turku 14
Auburn Hills 13
Nuremberg 13
Shenzhen 13
Totale 15.828
Salva come PNG Salva come JPEG
Nome #
New Finding of Andradite (Demantoid Variety) from the Mine of Sa Spinarbedda, Domus De Maria (Cagliari): Mineralogical Characterization and Spectroscopy Analysis 368
FRODO program for Mathematica 250
A CASSCF theoretical study of the vibrational frequencies and structure of formaldehyde, acetaldehyde and acetone valence excited states 248
An application of second and third-order n-electron valence state perturbation theory to the calculation of the vertical electronic spectrum of furan 245
A multireference n-electron Valence State Perturbation Theory study of the electronic spectrum of s-tetrazine 244
Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds? 238
A Simple Approximate Perturbation Approach to Quasi-degenerate Systems 233
Application of a “charge-averaged” second order Multireference Perturbation Theory strategy to the study of a model Mixed-Valence compound. 233
A comparison of various approaches in internally contracted multireference configuration interaction: the carbon dimer as a test case 233
The vertical electronic spectrum of pyrrole: A second and third order n-electron valence state perturbation theory study 232
A multireference perturbation theory study on the vertical electronic spectrum of thiophene 231
DALTON Release 2 Program 228
A convenient decontraction procedure of internally contracted state-specific multireference algorithms 227
A quasidegenerate formulation of the second order n-electron valence state perturbation theory approach 225
A theoretical study of BeN linear chains: Variational and perturbative approaches 222
The "fermi hole" and the correlation introduced by the symmetrization or the anti-symmetrization of the wave function 220
A computational study of salt diffusion and heat extraction in solar pond plants 215
A surface hopping study of energy transfer in Na + Cd* collisions 214
An ab initio multireference perturbation theory study on the manganese dimer 211
A one-dimensional numerical study of the salt diffusion in a salinity-gradient solar pond 211
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 210
A priori complete active space self consistent field localized orbitals: an application on linear polyenes 210
A multireference perturbation theory study on the Fe2 molecule: in quest of the ground state 203
New perspectives in multireference perturbation theory: the n-electron valence state approach 197
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 195
Assessment of Multireference Perturbation Methods for Chemical Reaction Barrier Heights 195
DALTON2011 Program 193
Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States 193
Third-order multireference perturbation theory: the n-electron valence state perturbation theory approach 192
Electronic reorganization triggered by electron transfer: The intervalence charge transfer of a Fe3+/Fe2+bimetallic complex 188
Metal-ligand delocalization and spin density in the CuCl2 and [CuCl4]2- molecules: Some insights from wave function theory 188
Ab initio n-electron valence state perturbation theory study of the adiabatic transitions in carbonyl molecules: formaldehyde, acetaldehyde and acetone 187
Common Format for Quantum Chemistry Interoperability: Q5Cost Format and Library 186
OpenMolcas: From Source Code to Insight 186
The effect of the basis-set superposition error on the calculation of dispersion interactions: a test study on the neon dimer 184
A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves 183
Developments in the n-electron valence state perturbation theory 182
Photoionization of furan from the ground and excited electronic states 180
An application of second-order n-electron valence state perturbation theory to the calculation of excited states 178
The Spin-Partitioned Total-Position Spread Tensor: An Application to Diatomic Molecules 177
The problem of interoperability: a common data format for Quantum Chemistry codes 175
Charge-displacement analysis for excited states 172
The calculation of the correlation energy in ground and excited states: the n-electron valence state perturbation theory approach. 172
FORTRAN interface for code interoperability in Quantum chemistry: The Q5cost library 172
Spin density and orbital optimization in open shell systems: A rational and computationally efficient proposal 171
Optical absorption spectrum of the N3 solar cell sensitizer by second-order multireference perturbation theory 171
Threshold photoionization study of Fe(CO)5 versus ab-initio calculations 168
N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant 167
A novel perturbation-based CAS-SCF algorithm: application to the direct calculation of localized orbitals 167
On the controversial nature of the 1 1Bu and 2 1Bu states of trans-stilbene: The n -electron valence state perturbation theory approach 166
The effect of thermodiffusion on the stability of a salinity gradient solar pond 166
FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions 165
Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model 164
Calibration of the n-electron valence state perturbation theory approach 164
Aromaticity: an ab Initio Evaluation of the Properly Cyclic Delocalization Energy and the π-Delocalization Energy Distortivity of Benzene 162
Multireference perturbation C.I. III. Fast evaluation of the one-particle density matrix 162
“Caging” Anions through Crystal Engineering to Avoid Polymerization: Structural, Conformational and Theoretical Investigations of New Halocadmate [Cd2X7]3– Anions (X = Cl/Br) 162
On the relative merits of non-orthogonal and orthogonal Valence Bond methods illustrated on the hydrogen molecule 162
Multiple complete active space self-consistent field solutions 162
Kmonodim: a Program for the Numerical Solution of the One-Dimensional Schroedinger Equation 162
Metal-to-metal charge-transfer transitions: reliable excitation energies from ab initio calculations 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 160
The role of the magnetic orbitals in the calculation of the magnetic coupling constants from multireference perturbation theory methods 159
NEVPT2 perturbation theory: applications to valence and Rydberg excited states of formaldehyde. 159
Computation of the Isotropic Hyperfine Coupling Constant: Efficiency and Insights from a New Approach Based on Wave Function Theory 159
Geometry optimization within a localized CAS-SCF approach 157
Excitation energies of retinal chromophores: critical role of the structural model 157
Multireference perturbation C.I. I. Extrapolation procedures with CAS or selected zero-order spaces 156
Multireference perturbation CI II: selection of the zero-order space 156
Temperature and composition dependence of the Soret coefficient in Lennard-Jones mixtures presenting evaporation/condensation phase transition 155
Ground state of the Mo2, W2 and MoCr molecules: a second and third order multireference perturbation theory study 154
The Møller–Plesset perturbation revisited: origin of high-order divergences 154
Dynamical photoionization observables of the CS molecule: The role of electron correlation 154
The electronic structure of Ullman's biradicals: an orthogonal valence bond interpretation 153
Multireference perturbation CI IV. Selection procedure for one-electron properties 153
An analysis of the dynamic sigma polarization in the V state of ethene 152
The localization tensor for the H2 molecule: Closed formulae for the Heitler-London and related wavefunctions and comparison with full configuration interaction 152
Beryllium-Dimer: a Bond Based on Non-Dynamical Correlation 152
On the nature of the π -> π* ionic excited states: The V state of ethene as a prototype 152
N-electron valence state perturbation theory: a spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants 151
Local orbitals for quasi-degenerate systems 151
Temperature and composition dependence of the Soret coefficient in Lennard-Jones mixtures presenting consolute critical phenomena 150
Influence of the interaction potential and of the temperature on the thermodiffusion (Soret) coefficient in a model system 150
Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group 150
Theoretical study of Na(4p2P) + Na(3s2P) and Cd(5p3P0) + Na(3s2S) collisions and their role in the energy transfer between Cd* and Na 149
Bond electron pair: its relevance and analysis from the quantum chemistry point of view 149
On the Maxwell−Stefan Approach to Diffusion: A General Resolution in the Transient Regime for One-Dimensional Systems 147
The use of local orbitals in multireference calculations 146
Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program 144
Extending the active space in multireference configuration interaction calculations of magnetic coupling constants 143
On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes 143
Joint Meeting of the Physical Chemistry and Electrochemistry Divisions of the Italian Chemical Society 142
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model 142
Magnetic behaviour vs. structural changes in a isomeric series of binuclear copper(II) complexes: an experimental and theoretical study 141
Electronic structure investigation of the evanescent AtO+ ion. 140
TRATTAMENTO DI ACQUE CONTAMINATE DA IDROCARBURI MEDIANTE ZEOLITI: SELETTIVITÀ DI ADSORBIMENTO IN PRESENZA DI CONTAMINANTI IN MISCELA. 140
The behavior of the Position-Spread Tensor in Diatomic Systems 140
Analysis of the magnetic coupling in nitroxide organic biradicals 140
Computer assisted generation of the matrix elements between contracted wavefunctions in a Complete Active Space scheme 139
Totale 17.881
Salva come PNG Salva come JPEG
Categoria #
all - tutte 100.268
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 1.136
Totale 101.404
Salva come PNG Salva come JPEG


Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021580 0 0 0 0 0 0 0 0 0 288 192 100
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
2024/20252.645 72 178 236 47 343 290 31 206 372 250 358 262
2025/20267.944 619 465 744 1.247 1.110 504 813 452 971 1.019 0 0
Totale 23.340