SFERA Archivio dei prodotti della Ricerca dell'Università di Ferrara

ANGELI, Celestino
 Distribuzione geografica
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Continente #
NA - Nord America 9.068
EU - Europa 2.131
AS - Asia 1.113
SA - Sud America 6
AF - Africa 5
Continente sconosciuto - Info sul continente non disponibili 2
OC - Oceania 2
Totale 12.327
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Nazione #
US - Stati Uniti d'America 9.060
CN - Cina 707
UA - Ucraina 594
DE - Germania 585
TR - Turchia 356
GB - Regno Unito 289
IT - Italia 250
FI - Finlandia 134
SE - Svezia 100
PL - Polonia 47
FR - Francia 31
IE - Irlanda 29
BE - Belgio 22
JP - Giappone 14
CH - Svizzera 11
HK - Hong Kong 10
CA - Canada 8
VN - Vietnam 8
IN - India 6
RU - Federazione Russa 6
AT - Austria 5
NA - Namibia 4
RO - Romania 4
AR - Argentina 3
ES - Italia 3
HU - Ungheria 3
KR - Corea 3
SK - Slovacchia (Repubblica Slovacca) 3
BG - Bulgaria 2
BR - Brasile 2
GR - Grecia 2
NL - Olanda 2
PT - Portogallo 2
SG - Singapore 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
ID - Indonesia 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 12.327
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Città #
Fairfield 1.371
Woodbridge 1.254
Houston 911
Jacksonville 698
Ann Arbor 626
Chandler 584
Ashburn 542
Seattle 493
Wilmington 463
Cambridge 433
Izmir 259
Nanjing 181
Princeton 152
San Diego 138
Beijing 133
Boardman 110
Addison 70
Nanchang 70
Ferrara 64
New York 58
Menlo Park 51
Shenyang 49
Warsaw 47
Tianjin 41
Jiaxing 35
Hebei 32
Changsha 28
Redwood City 28
Los Angeles 25
Mountain View 25
Falls Church 24
Brussels 22
Zhengzhou 22
London 21
Shanghai 19
Indiana 18
Kunming 18
Jinan 17
Norwalk 17
Bologna 15
Des Moines 15
Milan 14
San Mateo 14
Tappahannock 14
Verona 14
Auburn Hills 13
Zurich 10
Guangzhou 9
Ningbo 9
Philadelphia 9
Dearborn 8
Hangzhou 8
Hong Kong 8
Orange 8
Changchun 7
Lanzhou 7
Serra 7
Dong Ket 6
Redmond 6
Rome 6
Washington 6
Wuhan 6
Mülheim An Der Ruhr 5
Rancho Cucamonga 5
Toronto 5
Acton 4
Bremen 4
Haikou 4
Helsinki 4
Hounslow 4
Modena 4
Taizhou 4
Tokyo 4
Bend 3
Budapest 3
Chicago 3
Florence 3
Frankfurt am Main 3
Kilburn 3
Limbiate 3
Napoli 3
Prescot 3
Yokohama 3
Basovizza 2
Bratislava 2
Chiswick 2
Cormeilles-en-Parisis 2
Corrientes 2
Cortona 2
Creazzo 2
Edinburgh 2
Garching 2
Islington 2
Lappeenranta 2
Marseille 2
Ottawa 2
Pasian di Prato 2
Patiala 2
Pula 2
San Francisco 2
Totale 9.479
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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 205
Electronic reorganization triggered by electron transfer: The intervalence charge transfer of a Fe3+/Fe2+bimetallic complex 134
The vertical electronic spectrum of pyrrole: A second and third order n-electron valence state perturbation theory study 130
Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds? 129
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 125
Assessment of Multireference Perturbation Methods for Chemical Reaction Barrier Heights 125
Application of a “charge-averaged” second order Multireference Perturbation Theory strategy to the study of a model Mixed-Valence compound. 123
A multireference n-electron Valence State Perturbation Theory study of the electronic spectrum of s-tetrazine 123
A CASSCF theoretical study of the vibrational frequencies and structure of formaldehyde, acetaldehyde and acetone valence excited states 121
A computational study of salt diffusion and heat extraction in solar pond plants 121
A one-dimensional numerical study of the salt diffusion in a salinity-gradient solar pond 120
An application of second and third-order n-electron valence state perturbation theory to the calculation of the vertical electronic spectrum of furan 119
A surface hopping study of energy transfer in Na + Cd* collisions 117
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 117
Third-order multireference perturbation theory: the n-electron valence state perturbation theory approach 116
The calculation of the correlation energy in ground and excited states: the n-electron valence state perturbation theory approach. 116
A Simple Approximate Perturbation Approach to Quasi-degenerate Systems 115
Metal-ligand delocalization and spin density in the CuCl2 and [CuCl4]2- molecules: Some insights from wave function theory 114
A quasidegenerate formulation of the second order n-electron valence state perturbation theory approach 113
An ab initio multireference perturbation theory study on the manganese dimer. 112
The "fermi hole" and the correlation introduced by the symmetrization or the anti-symmetrization of the wave function 112
A multireference perturbation theory study on the vertical electronic spectrum of thiophene 111
FRODO program for Mathematica 111
Common Format for Quantum Chemistry Interoperability: Q5Cost Format and Library 110
A priori complete active space self consistent field localized orbitals: an application on linear polyenes 110
A convenient decontraction procedure of internally contracted state-specific multireference algorithms 110
Ab initio n-electron valence state perturbation theory study of the adiabatic transitions in carbonyl molecules: formaldehyde, acetaldehyde and acetone 109
Analysis of the magnetic coupling in binuclear systems. III. The role of the ligand to metal charge transfer excitations revisited 109
Threshold photoionization study of Fe(CO)5 versus ab-initio calculations 108
On the controversial nature of the 1 1Bu and 2 1Bu states of trans-stilbene: The n-electron valence state perturbation theory approach. 107
The Spin-Partitioned Total-Position Spread Tensor: An Application to Diatomic Molecules 107
Metal-to-metal charge-transfer transitions: reliable excitation energies from ab initio calculations 107
A multireference perturbation theory study on the Fe2 molecule: in quest of the ground state 106
A comparison of various approaches in internally contracted multireference configuration interaction: the carbon dimer as a test case 106
The effect of the basis-set superposition error on the calculation of dispersion interactions: a test study on the neon dimer 106
N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant 105
An application of second-order n-electron valence state perturbation theory to the calculation of excited states 105
Photoionization of furan from the ground and excited electronic states 105
Aromaticity: an ab Initio Evaluation of the Properly Cyclic Delocalization Energy and the π-Delocalization Energy Distortivity of Benzene 104
Quasi--diabatic and adiabatic states and potential energy curves for Na-Cd collisions and excimer formation 104
New perspectives in multireference perturbation theory: the n-electron valence state approach 104
FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions 103
N-electron valence state perturbation theory: a spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants 102
Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model 102
A theoretical study of BeN linear chains: Variational and perturbative approaches 102
Temperature and composition dependence of the Soret coefficient in Lennard-Jones mixtures presenting evaporation/condensation phase transition 101
On the relative merits of non-orthogonal and orthogonal Valence Bond methods illustrated on the hydrogen molecule 101
Multireference perturbation CI IV. Selection procedure for one-electron properties 101
The effect of thermodiffusion on the stability of a salinity gradient solar pond 100
Calibration of the n-electron valence state perturbation theory approach 100
Multireference perturbation C.I. I. Extrapolation procedures with CAS or selected zero-order spaces 99
On the nature of the π -> π* ionic excited states: The V state of ethene as a prototype 99
Temperature and composition dependence of the Soret coefficient in Lennard-Jones mixtures presenting consolute critical phenomena 98
The role of the magnetic orbitals in the calculation of the magnetic coupling constants from multireference perturbation theory methods 98
null 98
“Caging” Anions through Crystal Engineering to Avoid Polymerization: Structural, Conformational and Theoretical Investigations of New Halocadmate [Cd2X7]3– Anions (X = Cl/Br) 98
The Møller–Plesset perturbation revisited: origin of high-order divergences 97
Multireference perturbation C.I. III. Fast evaluation of the one-particle density matrix 96
Multireference perturbation CI II: selection of the zero-order space 96
Electronic structure investigation of the evanescent AtO+ ion. 96
Bond electron pair: its relevance and analysis from the quantum chemistry point of view 96
On the Maxwell−Stefan Approach to Diffusion: A General Resolution in the Transient Regime for One-Dimensional Systems 95
The electronic structure of Ullman's biradicals: an orthogonal valence bond interpretation 95
The localization tensor for the H2 molecule: Closed formulae for the Heitler-London and related wavefunctions and comparison with full configuration interaction 95
Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States 95
The use of local orbitals in multireference calculations 95
Spin density and orbital optimization in open shell systems: A rational and computationally efficient proposal 95
null 95
Analysis of the magnetic coupling in nitroxide organic biradicals 95
Optical absorption spectrum of the N3 solar cell sensitizer by second-order multireference perturbation theory 95
The problem of interoperability: a common data format for Quantum Chemistry codes 93
Extending the active space in multireference configuration interaction calculations of magnetic coupling constants 92
Multiple complete active space self-consistent field solutions 92
The behavior of the Position-Spread Tensor in Diatomic Systems 92
On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes. 92
Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group 92
Influence of the interaction potential and of the temperature on the thermodiffusion (Soret) coefficient in a model system. 91
Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program 91
Geometry optimization within a localized CAS-SCF approach 90
Dynamical photoionization observables of the CS molecule: The role of electron correlation 89
Computer assisted generation of the matrix elements between contracted wavefunctions in a Complete Active Space scheme 89
DALTON Release 2 Program 88
Beryllium-Dimer: a Bond Based on Non-Dynamical Correlation 88
FORTRAN interface for code interoperability in Quantum chemistry: The Q5cost library 88
Excitation energies of retinal chromophores: critical role of the structural model 87
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model 87
null 85
null 85
Non-orthogonal and orthogonal valence bond wavefunctions in the hydrogen molecule: the diabatic view 85
Charge-displacement analysis for excited states 84
The lowest singlet states of octatetraene revisited 84
DALTON2011 Program 83
Magnetic behaviour vs. structural changes in a isomeric series of binuclear copper(II) complexes: an experimental and theoretical study 80
A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves 79
null 79
Theoretical study of Na(4p2P) + Na(3s2P) and Cd(5p3P0) + Na(3s2S) collisions and their role in the energy transfer between Cd* and Na 78
Physical interpretation of Koopmans' theorem: a cricticism to the current didactic presentation 78
Quasi-bond orbitals from maximum-localizzation hybrids for ab initio calculations 78
Transient Diffusion within Spherical Particles: Numerical Resolution of the Maxwell−Stefan Formulation 77
TRATTAMENTO DI ACQUE CONTAMINATE DA IDROCARBURI MEDIANTE ZEOLITI: SELETTIVITÀ DI ADSORBIMENTO IN PRESENZA DI CONTAMINANTI IN MISCELA. 77
Totale 10.162
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Categoria #
all - tutte 45.308
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 398
Totale 45.706
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2018/20191.190 0 0 0 0 0 0 0 0 0 0 463 727
2019/20203.005 474 109 107 459 216 324 272 312 259 258 153 62
2020/20211.785 146 175 72 207 71 207 42 239 49 287 191 99
2021/20221.610 109 244 194 28 29 57 109 74 29 118 159 460
2022/20231.361 172 75 35 169 201 224 15 147 184 13 78 48
2023/2024424 82 101 20 25 42 72 24 21 15 22 0 0
Totale 12.487