SFERA Archivio dei prodotti della Ricerca dell'Università di Ferrara

ANGELI, Celestino
 Distribuzione geografica
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Continente #
NA - Nord America 9.952
EU - Europa 2.404
AS - Asia 2.060
SA - Sud America 198
AF - Africa 16
Continente sconosciuto - Info sul continente non disponibili 2
OC - Oceania 2
Totale 14.634
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Nazione #
US - Stati Uniti d'America 9.932
CN - Cina 871
SG - Singapore 696
DE - Germania 672
UA - Ucraina 612
TR - Turchia 359
IT - Italia 324
GB - Regno Unito 299
BR - Brasile 185
FI - Finlandia 164
SE - Svezia 104
PL - Polonia 48
HK - Hong Kong 41
FR - Francia 36
IE - Irlanda 29
BE - Belgio 28
ID - Indonesia 21
CA - Canada 16
JP - Giappone 16
RU - Federazione Russa 15
KR - Corea 14
AT - Austria 12
CH - Svizzera 11
HU - Ungheria 10
AR - Argentina 8
IN - India 8
NL - Olanda 8
VN - Vietnam 8
RO - Romania 5
UZ - Uzbekistan 5
ZA - Sudafrica 5
CZ - Repubblica Ceca 4
IQ - Iraq 4
LT - Lituania 4
NA - Namibia 4
BD - Bangladesh 3
EG - Egitto 3
ES - Italia 3
MX - Messico 3
PK - Pakistan 3
SK - Slovacchia (Repubblica Slovacca) 3
BG - Bulgaria 2
CO - Colombia 2
GR - Grecia 2
KE - Kenya 2
PH - Filippine 2
PT - Portogallo 2
A2 - ???statistics.table.value.countryCode.A2??? 1
AL - Albania 1
AU - Australia 1
DK - Danimarca 1
DZ - Algeria 1
EU - Europa 1
HN - Honduras 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
Totale 14.634
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Città #
Fairfield 1.385
Woodbridge 1.261
Houston 922
Jacksonville 702
Ann Arbor 626
Chandler 585
Ashburn 552
Santa Clara 536
Seattle 497
Wilmington 471
Cambridge 439
Singapore 323
Izmir 260
Nanjing 182
Princeton 153
San Diego 141
Beijing 135
Boardman 135
Ferrara 73
Addison 71
Nanchang 71
New York 59
Los Angeles 55
Menlo Park 51
Shenyang 49
Warsaw 47
Tianjin 42
Hong Kong 38
Jiaxing 35
Shanghai 35
Hebei 33
Changsha 29
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
The Dalles 16
San Mateo 14
Tappahannock 14
Verona 14
Auburn Hills 13
São Paulo 12
Rio de Janeiro 11
Budapest 10
Guangzhou 10
Toronto 10
Zurich 10
Espoo 9
Ningbo 9
Nuremberg 9
Philadelphia 9
Rome 9
Council Bluffs 8
Dearborn 8
Hangzhou 8
Orange 8
Changchun 7
Cheongju-si 7
Frankfurt am Main 7
Lanzhou 7
Munich 7
Serra 7
Washington 7
Dong Ket 6
Redmond 6
Shenzhen 6
Wuhan 6
Brasília 5
Curitiba 5
Mülheim An Der Ruhr 5
Ottawa 5
Parma 5
Pisa 5
Rancho Cucamonga 5
Acton 4
Belo Horizonte 4
Bremen 4
Haikou 4
Hounslow 4
Modena 4
North Bergen 4
Taizhou 4
Tashkent 4
Tokyo 4
Vienna 4
Yuseong-gu 4
Bend 3
Buffalo 3
Totale 10.711
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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 236
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? 149
A multireference n-electron Valence State Perturbation Theory study of the electronic spectrum of s-tetrazine 149
Application of a “charge-averaged” second order Multireference Perturbation Theory strategy to the study of a model Mixed-Valence compound. 147
The "fermi hole" and the correlation introduced by the symmetrization or the anti-symmetrization of the wave function 147
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 145
An application of second and third-order n-electron valence state perturbation theory to the calculation of the vertical electronic spectrum of furan 144
A CASSCF theoretical study of the vibrational frequencies and structure of formaldehyde, acetaldehyde and acetone valence excited states 143
FRODO program for Mathematica 143
A multireference perturbation theory study on the vertical electronic spectrum of thiophene 139
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 139
A computational study of salt diffusion and heat extraction in solar pond plants 138
Assessment of Multireference Perturbation Methods for Chemical Reaction Barrier Heights 138
A surface hopping study of energy transfer in Na + Cd* collisions 135
A Simple Approximate Perturbation Approach to Quasi-degenerate Systems 134
A one-dimensional numerical study of the salt diffusion in a salinity-gradient solar pond 132
A quasidegenerate formulation of the second order n-electron valence state perturbation theory approach 130
The Spin-Partitioned Total-Position Spread Tensor: An Application to Diatomic Molecules 130
Metal-ligand delocalization and spin density in the CuCl2 and [CuCl4]2- molecules: Some insights from wave function theory 130
Third-order multireference perturbation theory: the n-electron valence state perturbation theory approach 129
An ab initio multireference perturbation theory study on the manganese dimer. 128
The calculation of the correlation energy in ground and excited states: the n-electron valence state perturbation theory approach. 127
Ab initio n-electron valence state perturbation theory study of the adiabatic transitions in carbonyl molecules: formaldehyde, acetaldehyde and acetone 125
New perspectives in multireference perturbation theory: the n-electron valence state approach 125
The effect of the basis-set superposition error on the calculation of dispersion interactions: a test study on the neon dimer 125
Photoionization of furan from the ground and excited electronic states 125
Common Format for Quantum Chemistry Interoperability: Q5Cost Format and Library 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
A theoretical study of BeN linear chains: Variational and perturbative approaches 123
A convenient decontraction procedure of internally contracted state-specific multireference algorithms 123
A comparison of various approaches in internally contracted multireference configuration interaction: the carbon dimer as a test case 121
On the controversial nature of the 1 1Bu and 2 1Bu states of trans-stilbene: The n-electron valence state perturbation theory approach. 120
Threshold photoionization study of Fe(CO)5 versus ab-initio calculations 120
A multireference perturbation theory study on the Fe2 molecule: in quest of the ground state 120
“Caging” Anions through Crystal Engineering to Avoid Polymerization: Structural, Conformational and Theoretical Investigations of New Halocadmate [Cd2X7]3– Anions (X = Cl/Br) 120
Metal-to-metal charge-transfer transitions: reliable excitation energies from ab initio calculations 120
N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant 119
Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model 119
An application of second-order n-electron valence state perturbation theory to the calculation of excited states 118
FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions 118
Aromaticity: an ab Initio Evaluation of the Properly Cyclic Delocalization Energy and the π-Delocalization Energy Distortivity of Benzene 117
DALTON Release 2 Program 116
Calibration of the n-electron valence state perturbation theory approach 116
Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States 115
Quasi--diabatic and adiabatic states and potential energy curves for Na-Cd collisions and excimer formation 114
The role of the magnetic orbitals in the calculation of the magnetic coupling constants from multireference perturbation theory methods 114
N-electron valence state perturbation theory: a spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants 113
On the relative merits of non-orthogonal and orthogonal Valence Bond methods illustrated on the hydrogen molecule 113
Temperature and composition dependence of the Soret coefficient in Lennard-Jones mixtures presenting consolute critical phenomena 112
The Møller–Plesset perturbation revisited: origin of high-order divergences 112
Multireference perturbation CI IV. Selection procedure for one-electron properties 112
Spin density and orbital optimization in open shell systems: A rational and computationally efficient proposal 112
On the nature of the π -> π* ionic excited states: The V state of ethene as a prototype 112
The effect of thermodiffusion on the stability of a salinity gradient solar pond 111
The problem of interoperability: a common data format for Quantum Chemistry codes 111
Optical absorption spectrum of the N3 solar cell sensitizer by second-order multireference perturbation theory 111
Temperature and composition dependence of the Soret coefficient in Lennard-Jones mixtures presenting evaporation/condensation phase transition 110
The localization tensor for the H2 molecule: Closed formulae for the Heitler-London and related wavefunctions and comparison with full configuration interaction 110
Multireference perturbation C.I. I. Extrapolation procedures with CAS or selected zero-order spaces 109
On the Maxwell−Stefan Approach to Diffusion: A General Resolution in the Transient Regime for One-Dimensional Systems 109
The electronic structure of Ullman's biradicals: an orthogonal valence bond interpretation 109
Charge-displacement analysis for excited states 109
Multiple complete active space self-consistent field solutions 109
Multireference perturbation C.I. III. Fast evaluation of the one-particle density matrix 108
Bond electron pair: its relevance and analysis from the quantum chemistry point of view 108
DALTON2011 Program 107
Local orbitals for quasi-degenerate systems 107
Analysis of the magnetic coupling in nitroxide organic biradicals 107
Multireference perturbation CI II: selection of the zero-order space 106
Dynamical photoionization observables of the CS molecule: The role of electron correlation 106
Extending the active space in multireference configuration interaction calculations of magnetic coupling constants 105
Electronic structure investigation of the evanescent AtO+ ion. 105
The use of local orbitals in multireference calculations 105
Influence of the interaction potential and of the temperature on the thermodiffusion (Soret) coefficient in a model system 104
Computer assisted generation of the matrix elements between contracted wavefunctions in a Complete Active Space scheme 104
Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group 104
Beryllium-Dimer: a Bond Based on Non-Dynamical Correlation 103
FORTRAN interface for code interoperability in Quantum chemistry: The Q5cost library 103
A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves 103
On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes. 102
The behavior of the Position-Spread Tensor in Diatomic Systems 101
Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program 101
Geometry optimization within a localized CAS-SCF approach 100
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model 100
null 98
Excitation energies of retinal chromophores: critical role of the structural model 98
Developments in the n-electron valence state perturbation theory 97
Non-orthogonal and orthogonal valence bond wavefunctions in the hydrogen molecule: the diabatic view 96
null 95
The lowest singlet states of octatetraene revisited 95
TRATTAMENTO DI ACQUE CONTAMINATE DA IDROCARBURI MEDIANTE ZEOLITI: SELETTIVITÀ DI ADSORBIMENTO IN PRESENZA DI CONTAMINANTI IN MISCELA. 94
Effect of dynamic electron correlation on a CASSCF potential energy surface with varying covalent and charge transfer electronic characters 94
NEVPT2 perturbation theory: applications to valence and Rydberg excited states of formaldehyde. 92
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
Physical interpretation of Koopmans' theorem: a cricticism to the current didactic presentation 88
Magnetic behaviour vs. structural changes in a isomeric series of binuclear copper(II) complexes: an experimental and theoretical study 88
Kmonodim: a Program for the Numerical Solution of the One-Dimensional Schroedinger Equation 88
Totale 11.722
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Categoria #
all - tutte 73.729
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 736
Totale 74.465
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020216 0 0 0 0 0 0 0 0 0 0 154 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
2024/20252.058 72 178 236 47 343 290 31 206 372 250 33 0
Totale 14.809