SFERA Archivio dei prodotti della Ricerca dell'Università di Ferrara

ANGELI, Celestino
 Distribuzione geografica
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Continente #
NA - Nord America 11.423
AS - Asia 4.461
EU - Europa 2.983
SA - Sud America 784
AF - Africa 65
OC - Oceania 4
Continente sconosciuto - Info sul continente non disponibili 2
Totale 19.722
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Nazione #
US - Stati Uniti d'America 11.251
SG - Singapore 1.694
CN - Cina 1.420
DE - Germania 749
BR - Brasile 653
UA - Ucraina 622
HK - Hong Kong 442
IT - Italia 391
TR - Turchia 385
GB - Regno Unito 378
VN - Vietnam 229
FI - Finlandia 177
RU - Federazione Russa 154
SE - Svezia 132
MX - Messico 95
PL - Polonia 87
FR - Francia 85
AR - Argentina 65
CA - Canada 64
IN - India 62
JP - Giappone 49
ID - Indonesia 40
ES - Italia 39
IQ - Iraq 32
ZA - Sudafrica 30
BE - Belgio 29
IE - Irlanda 29
NL - Olanda 24
BD - Bangladesh 21
EC - Ecuador 19
KR - Corea 16
AT - Austria 15
CO - Colombia 14
CH - Svizzera 13
UZ - Uzbekistan 12
HU - Ungheria 10
LT - Lituania 10
LB - Libano 9
KE - Kenya 8
PE - Perù 8
VE - Venezuela 8
RO - Romania 7
CL - Cile 6
EG - Egitto 6
PT - Portogallo 6
PY - Paraguay 6
AE - Emirati Arabi Uniti 5
NA - Namibia 5
PK - Pakistan 5
CZ - Repubblica Ceca 4
HN - Honduras 4
MA - Marocco 4
SA - Arabia Saudita 4
TN - Tunisia 4
UY - Uruguay 4
AU - Australia 3
BG - Bulgaria 3
CR - Costa Rica 3
GR - Grecia 3
IL - Israele 3
JO - Giordania 3
KZ - Kazakistan 3
NP - Nepal 3
OM - Oman 3
PH - Filippine 3
SK - Slovacchia (Repubblica Slovacca) 3
CG - Congo 2
DK - Danimarca 2
DZ - Algeria 2
JM - Giamaica 2
MD - Moldavia 2
PS - Palestinian Territory 2
SY - Repubblica araba siriana 2
TL - Timor Orientale 2
A2 - ???statistics.table.value.countryCode.A2??? 1
AD - Andorra 1
AL - Albania 1
AM - Armenia 1
AO - Angola 1
AZ - Azerbaigian 1
BO - Bolivia 1
BY - Bielorussia 1
ET - Etiopia 1
EU - Europa 1
GT - Guatemala 1
HR - Croazia 1
IR - Iran 1
IS - Islanda 1
KG - Kirghizistan 1
KN - Saint Kitts e Nevis 1
KW - Kuwait 1
LK - Sri Lanka 1
MK - Macedonia 1
MN - Mongolia 1
MY - Malesia 1
NG - Nigeria 1
NI - Nicaragua 1
NO - Norvegia 1
NZ - Nuova Zelanda 1
QA - Qatar 1
Totale 19.715
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Città #
Fairfield 1.385
Woodbridge 1.261
Singapore 1.022
Houston 934
Ashburn 867
Jacksonville 704
Ann Arbor 626
Chandler 585
Santa Clara 572
Seattle 503
Wilmington 473
Beijing 439
Cambridge 439
Hong Kong 437
Izmir 260
Nanjing 182
Dallas 178
Princeton 153
San Diego 141
Boardman 135
Los Angeles 124
New York 120
Warsaw 80
Ferrara 78
Ho Chi Minh City 76
Nanchang 72
Addison 71
São Paulo 66
Munich 65
Mexico City 62
Tianjin 52
Menlo Park 51
Hanoi 49
Shenyang 49
Chicago 41
London 40
Moscow 37
Shanghai 37
Milan 36
The Dalles 36
Tokyo 36
Hefei 35
Jiaxing 35
Hebei 33
Changsha 32
Denver 32
Brooklyn 31
Falkenstein 31
Stockholm 31
Brussels 28
Redwood City 28
Atlanta 27
Mountain View 25
Rennes 25
Chennai 24
Falls Church 24
Helsinki 22
Jakarta 22
Montreal 22
Rio de Janeiro 22
Zhengzhou 22
Columbus 21
Bologna 20
Jinan 20
Toronto 20
Kunming 19
Barcelona 18
Indiana 18
Johannesburg 17
Norwalk 17
Des Moines 16
Frankfurt am Main 16
San Francisco 16
Ankara 15
Boston 15
Verona 15
Belo Horizonte 14
Brasília 14
Hangzhou 14
Orem 14
San Mateo 14
Tappahannock 14
Turku 14
Auburn Hills 13
Curitiba 13
Phoenix 13
Rome 13
Guangzhou 12
Manchester 12
Campinas 11
Poplar 11
Tashkent 11
Baghdad 10
Budapest 10
Council Bluffs 10
Da Nang 10
Nuremberg 10
Philadelphia 10
Querétaro 10
Zurich 10
Totale 13.675
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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 306
FRODO program for Mathematica 219
An application of second and third-order n-electron valence state perturbation theory to the calculation of the vertical electronic spectrum of furan 219
A CASSCF theoretical study of the vibrational frequencies and structure of formaldehyde, acetaldehyde and acetone valence excited states 216
A multireference n-electron Valence State Perturbation Theory study of the electronic spectrum of s-tetrazine 205
A multireference perturbation theory study on the vertical electronic spectrum of thiophene 204
A Simple Approximate Perturbation Approach to Quasi-degenerate Systems 204
Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds? 204
Application of a “charge-averaged” second order Multireference Perturbation Theory strategy to the study of a model Mixed-Valence compound. 203
The vertical electronic spectrum of pyrrole: A second and third order n-electron valence state perturbation theory study 200
A surface hopping study of energy transfer in Na + Cd* collisions 196
A quasidegenerate formulation of the second order n-electron valence state perturbation theory approach 194
A comparison of various approaches in internally contracted multireference configuration interaction: the carbon dimer as a test case 192
A convenient decontraction procedure of internally contracted state-specific multireference algorithms 192
DALTON Release 2 Program 188
A theoretical study of BeN linear chains: Variational and perturbative approaches 186
A one-dimensional numerical study of the salt diffusion in a salinity-gradient solar pond 184
The "fermi hole" and the correlation introduced by the symmetrization or the anti-symmetrization of the wave function 184
An ab initio multireference perturbation theory study on the manganese dimer 182
A computational study of salt diffusion and heat extraction in solar pond plants 180
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 180
A priori complete active space self consistent field localized orbitals: an application on linear polyenes 180
Electronic reorganization triggered by electron transfer: The intervalence charge transfer of a Fe3+/Fe2+bimetallic complex 173
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 171
Metal-ligand delocalization and spin density in the CuCl2 and [CuCl4]2- molecules: Some insights from wave function theory 170
Third-order multireference perturbation theory: the n-electron valence state perturbation theory approach 169
A multireference perturbation theory study on the Fe2 molecule: in quest of the ground state 169
Assessment of Multireference Perturbation Methods for Chemical Reaction Barrier Heights 169
New perspectives in multireference perturbation theory: the n-electron valence state approach 168
Ab initio n-electron valence state perturbation theory study of the adiabatic transitions in carbonyl molecules: formaldehyde, acetaldehyde and acetone 165
DALTON2011 Program 163
Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States 163
Photoionization of furan from the ground and excited electronic states 158
The Spin-Partitioned Total-Position Spread Tensor: An Application to Diatomic Molecules 157
Common Format for Quantum Chemistry Interoperability: Q5Cost Format and Library 155
The effect of the basis-set superposition error on the calculation of dispersion interactions: a test study on the neon dimer 155
The problem of interoperability: a common data format for Quantum Chemistry codes 155
An application of second-order n-electron valence state perturbation theory to the calculation of excited states 154
The calculation of the correlation energy in ground and excited states: the n-electron valence state perturbation theory approach. 154
A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves 151
“Caging” Anions through Crystal Engineering to Avoid Polymerization: Structural, Conformational and Theoretical Investigations of New Halocadmate [Cd2X7]3– Anions (X = Cl/Br) 149
N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant 148
Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model 148
Developments in the n-electron valence state perturbation theory 148
Optical absorption spectrum of the N3 solar cell sensitizer by second-order multireference perturbation theory 148
Threshold photoionization study of Fe(CO)5 versus ab-initio calculations 146
FORTRAN interface for code interoperability in Quantum chemistry: The Q5cost library 145
Spin density and orbital optimization in open shell systems: A rational and computationally efficient proposal 144
Aromaticity: an ab Initio Evaluation of the Properly Cyclic Delocalization Energy and the π-Delocalization Energy Distortivity of Benzene 143
On the controversial nature of the 1 1Bu and 2 1Bu states of trans-stilbene: The n -electron valence state perturbation theory approach 143
FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions 143
Calibration of the n-electron valence state perturbation theory approach 143
A novel perturbation-based CAS-SCF algorithm: application to the direct calculation of localized orbitals 142
Multireference perturbation CI IV. Selection procedure for one-electron properties 142
Metal-to-metal charge-transfer transitions: reliable excitation energies from ab initio calculations 141
Analysis of the magnetic coupling in binuclear systems. III. The role of the ligand to metal charge transfer excitations revisited 141
Charge-displacement analysis for excited states 140
On the relative merits of non-orthogonal and orthogonal Valence Bond methods illustrated on the hydrogen molecule 140
The effect of thermodiffusion on the stability of a salinity gradient solar pond 140
Temperature and composition dependence of the Soret coefficient in Lennard-Jones mixtures presenting evaporation/condensation phase transition 139
The role of the magnetic orbitals in the calculation of the magnetic coupling constants from multireference perturbation theory methods 139
Computation of the Isotropic Hyperfine Coupling Constant: Efficiency and Insights from a New Approach Based on Wave Function Theory 138
Multireference perturbation C.I. I. Extrapolation procedures with CAS or selected zero-order spaces 137
The Møller–Plesset perturbation revisited: origin of high-order divergences 137
The localization tensor for the H2 molecule: Closed formulae for the Heitler-London and related wavefunctions and comparison with full configuration interaction 137
Geometry optimization within a localized CAS-SCF approach 136
Local orbitals for quasi-degenerate systems 136
Multireference perturbation C.I. III. Fast evaluation of the one-particle density matrix 135
N-electron valence state perturbation theory: a spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants 135
Quasi--diabatic and adiabatic states and potential energy curves for Na-Cd collisions and excimer formation 135
Temperature and composition dependence of the Soret coefficient in Lennard-Jones mixtures presenting consolute critical phenomena 135
Multiple complete active space self-consistent field solutions 135
On the Maxwell−Stefan Approach to Diffusion: A General Resolution in the Transient Regime for One-Dimensional Systems 134
Ground state of the Mo2, W2 and MoCr molecules: a second and third order multireference perturbation theory study 133
The electronic structure of Ullman's biradicals: an orthogonal valence bond interpretation 133
Kmonodim: a Program for the Numerical Solution of the One-Dimensional Schroedinger Equation 133
Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group 133
Dynamical photoionization observables of the CS molecule: The role of electron correlation 132
On the nature of the π -> π* ionic excited states: The V state of ethene as a prototype 132
Bond electron pair: its relevance and analysis from the quantum chemistry point of view 132
Multireference perturbation CI II: selection of the zero-order space 131
Beryllium-Dimer: a Bond Based on Non-Dynamical Correlation 131
Excitation energies of retinal chromophores: critical role of the structural model 131
OpenMolcas: From Source Code to Insight 131
The use of local orbitals in multireference calculations 130
Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program 130
NEVPT2 perturbation theory: applications to valence and Rydberg excited states of formaldehyde. 129
Extending the active space in multireference configuration interaction calculations of magnetic coupling constants 126
Influence of the interaction potential and of the temperature on the thermodiffusion (Soret) coefficient in a model system 126
On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes 126
An analysis of the dynamic sigma polarization in the V state of ethene 125
Electronic structure investigation of the evanescent AtO+ ion. 125
Computer assisted generation of the matrix elements between contracted wavefunctions in a Complete Active Space scheme 125
TRATTAMENTO DI ACQUE CONTAMINATE DA IDROCARBURI MEDIANTE ZEOLITI: SELETTIVITÀ DI ADSORBIMENTO IN PRESENZA DI CONTAMINANTI IN MISCELA. 123
Non-orthogonal and orthogonal valence bond wavefunctions in the hydrogen molecule: the diabatic view 123
The behavior of the Position-Spread Tensor in Diatomic Systems 123
Analysis of the magnetic coupling in nitroxide organic biradicals 123
Theoretical study of Na(4p2P) + Na(3s2P) and Cd(5p3P0) + Na(3s2S) collisions and their role in the energy transfer between Cd* and Na 121
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model 121
Joint Meeting of the Physical Chemistry and Electrochemistry Divisions of the Italian Chemical Society 119
Totale 15.426
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Categoria #
all - tutte 93.705
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 1.041
Totale 94.746
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/20211.120 0 0 0 0 0 208 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
2024/20252.645 72 178 236 47 343 290 31 206 372 250 358 262
2025/20264.506 619 465 744 1.247 1.110 321 0 0 0 0 0 0
Totale 19.902