SFERA Archivio dei prodotti della Ricerca dell'Università di Ferrara

ANGELI, Celestino
 Distribuzione geografica
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Continente #
NA - Nord America 9.867
EU - Europa 2.345
AS - Asia 2.016
SA - Sud America 116
AF - Africa 10
Continente sconosciuto - Info sul continente non disponibili 2
OC - Oceania 2
Totale 14.358
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Nazione #
US - Stati Uniti d'America 9.849
CN - Cina 870
SG - Singapore 668
DE - Germania 639
UA - Ucraina 599
TR - Turchia 359
IT - Italia 315
GB - Regno Unito 299
FI - Finlandia 163
BR - Brasile 107
SE - Svezia 104
PL - Polonia 48
FR - Francia 35
HK - Hong Kong 31
IE - Irlanda 29
BE - Belgio 28
ID - Indonesia 21
CA - Canada 16
JP - Giappone 15
RU - Federazione Russa 14
AT - Austria 12
KR - Corea 12
CH - Svizzera 11
HU - Ungheria 10
IN - India 8
VN - Vietnam 8
NL - Olanda 7
AR - Argentina 5
RO - Romania 5
CZ - Repubblica Ceca 4
IQ - Iraq 4
LT - Lituania 4
NA - Namibia 4
BD - Bangladesh 3
ES - Italia 3
PK - Pakistan 3
SK - Slovacchia (Repubblica Slovacca) 3
UZ - Uzbekistan 3
BG - Bulgaria 2
EG - Egitto 2
GR - Grecia 2
KE - Kenya 2
MX - Messico 2
PH - Filippine 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
KG - Kirghizistan 1
KW - Kuwait 1
KZ - Kazakistan 1
LK - Sri Lanka 1
MD - Moldavia 1
NG - Nigeria 1
NO - Norvegia 1
NZ - Nuova Zelanda 1
OM - Oman 1
PE - Perù 1
PY - Paraguay 1
SI - Slovenia 1
SY - Repubblica araba siriana 1
TW - Taiwan 1
VE - Venezuela 1
ZA - Sudafrica 1
Totale 14.358
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Città #
Fairfield 1.385
Woodbridge 1.261
Houston 922
Jacksonville 702
Ann Arbor 626
Chandler 585
Ashburn 551
Santa Clara 536
Seattle 497
Wilmington 471
Cambridge 439
Singapore 311
Izmir 260
Nanjing 182
Princeton 153
San Diego 141
Boardman 135
Beijing 134
Ferrara 73
Addison 71
Nanchang 71
New York 59
Los Angeles 55
Menlo Park 51
Shenyang 49
Warsaw 47
Tianjin 42
Jiaxing 35
Shanghai 35
Hebei 33
Changsha 29
Hong Kong 28
Redwood City 28
Brussels 27
Falkenstein 26
Mountain View 25
Falls Church 24
London 23
Helsinki 22
Zhengzhou 22
Milan 21
Bologna 20
Jakarta 20
Indiana 18
Jinan 18
Kunming 18
Norwalk 17
Des Moines 16
San Mateo 14
Tappahannock 14
Verona 14
Auburn Hills 13
Budapest 10
Guangzhou 10
Toronto 10
Zurich 10
Espoo 9
Ningbo 9
Nuremberg 9
Philadelphia 9
Council Bluffs 8
Dearborn 8
Hangzhou 8
Orange 8
São Paulo 8
Changchun 7
Frankfurt am Main 7
Lanzhou 7
Rome 7
Serra 7
Washington 7
Dong Ket 6
Munich 6
Redmond 6
Rio de Janeiro 6
Shenzhen 6
Wuhan 6
Cheongju-si 5
Mülheim An Der Ruhr 5
Ottawa 5
Pisa 5
Rancho Cucamonga 5
Acton 4
Bremen 4
Haikou 4
Hounslow 4
Modena 4
North Bergen 4
Taizhou 4
Tokyo 4
Vienna 4
Yuseong-gu 4
Belo Horizonte 3
Bend 3
Buffalo 3
Chicago 3
Easley 3
Florence 3
Kilburn 3
Lappeenranta 3
Totale 10.652
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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 235
Electronic reorganization triggered by electron transfer: The intervalence charge transfer of a Fe3+/Fe2+bimetallic complex 150
The vertical electronic spectrum of pyrrole: A second and third order n-electron valence state perturbation theory study 150
Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds? 146
A multireference n-electron Valence State Perturbation Theory study of the electronic spectrum of s-tetrazine 146
A CASSCF theoretical study of the vibrational frequencies and structure of formaldehyde, acetaldehyde and acetone valence excited states 143
Application of a “charge-averaged” second order Multireference Perturbation Theory strategy to the study of a model Mixed-Valence compound. 143
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 143
An application of second and third-order n-electron valence state perturbation theory to the calculation of the vertical electronic spectrum of furan 141
The "fermi hole" and the correlation introduced by the symmetrization or the anti-symmetrization of the wave function 141
FRODO program for Mathematica 140
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 138
A multireference perturbation theory study on the vertical electronic spectrum of thiophene 137
A computational study of salt diffusion and heat extraction in solar pond plants 137
Assessment of Multireference Perturbation Methods for Chemical Reaction Barrier Heights 137
A Simple Approximate Perturbation Approach to Quasi-degenerate Systems 133
A surface hopping study of energy transfer in Na + Cd* collisions 131
A one-dimensional numerical study of the salt diffusion in a salinity-gradient solar pond 131
A quasidegenerate formulation of the second order n-electron valence state perturbation theory approach 129
Metal-ligand delocalization and spin density in the CuCl2 and [CuCl4]2- molecules: Some insights from wave function theory 129
Third-order multireference perturbation theory: the n-electron valence state perturbation theory approach 128
The Spin-Partitioned Total-Position Spread Tensor: An Application to Diatomic Molecules 127
An ab initio multireference perturbation theory study on the manganese dimer. 125
The calculation of the correlation energy in ground and excited states: the n-electron valence state perturbation theory approach. 125
Photoionization of furan from the ground and excited electronic states 124
A priori complete active space self consistent field localized orbitals: an application on linear polyenes 124
Analysis of the magnetic coupling in binuclear systems. III. The role of the ligand to metal charge transfer excitations revisited 124
Common Format for Quantum Chemistry Interoperability: Q5Cost Format and Library 122
Ab initio n-electron valence state perturbation theory study of the adiabatic transitions in carbonyl molecules: formaldehyde, acetaldehyde and acetone 122
The effect of the basis-set superposition error on the calculation of dispersion interactions: a test study on the neon dimer 122
New perspectives in multireference perturbation theory: the n-electron valence state approach 121
A convenient decontraction procedure of internally contracted state-specific multireference algorithms 121
A theoretical study of BeN linear chains: Variational and perturbative approaches 120
Metal-to-metal charge-transfer transitions: reliable excitation energies from ab initio calculations 120
Threshold photoionization study of Fe(CO)5 versus ab-initio calculations 119
A multireference perturbation theory study on the Fe2 molecule: in quest of the ground state 119
A comparison of various approaches in internally contracted multireference configuration interaction: the carbon dimer as a test case 119
On the controversial nature of the 1 1Bu and 2 1Bu states of trans-stilbene: The n-electron valence state perturbation theory approach. 118
“Caging” Anions through Crystal Engineering to Avoid Polymerization: Structural, Conformational and Theoretical Investigations of New Halocadmate [Cd2X7]3– Anions (X = Cl/Br) 118
FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions 117
N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant 116
An application of second-order n-electron valence state perturbation theory to the calculation of excited states 116
Aromaticity: an ab Initio Evaluation of the Properly Cyclic Delocalization Energy and the π-Delocalization Energy Distortivity of Benzene 115
Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model 115
Calibration of the n-electron valence state perturbation theory approach 114
Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States 113
N-electron valence state perturbation theory: a spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants 112
Quasi--diabatic and adiabatic states and potential energy curves for Na-Cd collisions and excimer formation 112
The role of the magnetic orbitals in the calculation of the magnetic coupling constants from multireference perturbation theory methods 112
On the nature of the π -> π* ionic excited states: The V state of ethene as a prototype 112
On the relative merits of non-orthogonal and orthogonal Valence Bond methods illustrated on the hydrogen molecule 111
Temperature and composition dependence of the Soret coefficient in Lennard-Jones mixtures presenting consolute critical phenomena 110
DALTON Release 2 Program 110
The Møller–Plesset perturbation revisited: origin of high-order divergences 110
Spin density and orbital optimization in open shell systems: A rational and computationally efficient proposal 110
Temperature and composition dependence of the Soret coefficient in Lennard-Jones mixtures presenting evaporation/condensation phase transition 109
Multireference perturbation CI IV. Selection procedure for one-electron properties 109
The effect of thermodiffusion on the stability of a salinity gradient solar pond 109
Multireference perturbation C.I. I. Extrapolation procedures with CAS or selected zero-order spaces 108
Charge-displacement analysis for excited states 108
Multiple complete active space self-consistent field solutions 108
The problem of interoperability: a common data format for Quantum Chemistry codes 108
On the Maxwell−Stefan Approach to Diffusion: A General Resolution in the Transient Regime for One-Dimensional Systems 107
The electronic structure of Ullman's biradicals: an orthogonal valence bond interpretation 107
The localization tensor for the H2 molecule: Closed formulae for the Heitler-London and related wavefunctions and comparison with full configuration interaction 107
Local orbitals for quasi-degenerate systems 107
Analysis of the magnetic coupling in nitroxide organic biradicals 107
Bond electron pair: its relevance and analysis from the quantum chemistry point of view 107
Optical absorption spectrum of the N3 solar cell sensitizer by second-order multireference perturbation theory 107
Multireference perturbation C.I. III. Fast evaluation of the one-particle density matrix 106
Multireference perturbation CI II: selection of the zero-order space 105
DALTON2011 Program 105
Dynamical photoionization observables of the CS molecule: The role of electron correlation 105
Extending the active space in multireference configuration interaction calculations of magnetic coupling constants 104
Electronic structure investigation of the evanescent AtO+ ion. 104
The use of local orbitals in multireference calculations 104
Influence of the interaction potential and of the temperature on the thermodiffusion (Soret) coefficient in a model system 103
FORTRAN interface for code interoperability in Quantum chemistry: The Q5cost library 103
Computer assisted generation of the matrix elements between contracted wavefunctions in a Complete Active Space scheme 103
Beryllium-Dimer: a Bond Based on Non-Dynamical Correlation 102
Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group 102
A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves 102
On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes. 101
The behavior of the Position-Spread Tensor in Diatomic Systems 100
Geometry optimization within a localized CAS-SCF approach 99
Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program 99
null 98
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model 97
Excitation energies of retinal chromophores: critical role of the structural model 96
Developments in the n-electron valence state perturbation theory 96
null 95
Non-orthogonal and orthogonal valence bond wavefunctions in the hydrogen molecule: the diabatic view 94
Effect of dynamic electron correlation on a CASSCF potential energy surface with varying covalent and charge transfer electronic characters 94
The lowest singlet states of octatetraene revisited 94
NEVPT2 perturbation theory: applications to valence and Rydberg excited states of formaldehyde. 90
Theoretical study of Na(4p2P) + Na(3s2P) and Cd(5p3P0) + Na(3s2S) collisions and their role in the energy transfer between Cd* and Na 89
TRATTAMENTO DI ACQUE CONTAMINATE DA IDROCARBURI MEDIANTE ZEOLITI: SELETTIVITÀ DI ADSORBIMENTO IN PRESENZA DI CONTAMINANTI IN MISCELA. 89
Kmonodim: a Program for the Numerical Solution of the One-Dimensional Schroedinger Equation 88
Physical interpretation of Koopmans' theorem: a cricticism to the current didactic presentation 87
Magnetic behaviour vs. structural changes in a isomeric series of binuclear copper(II) complexes: an experimental and theoretical study 87
Totale 11.552
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Categoria #
all - tutte 70.734
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 697
Totale 71.431
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020478 0 0 0 0 0 0 0 0 0 262 154 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
2024/20251.782 72 178 236 47 343 290 31 206 372 7 0 0
Totale 14.533