SFERA Archivio dei prodotti della Ricerca dell'Università di Ferrara

ANGELI, Celestino
 Distribuzione geografica
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Continente #
NA - Nord America 14.034
AS - Asia 6.203
EU - Europa 3.475
SA - Sud America 998
Continente sconosciuto - Info sul continente non disponibili 184
AF - Africa 141
OC - Oceania 11
Totale 25.046
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Nazione #
US - Stati Uniti d'America 13.740
SG - Singapore 2.153
CN - Cina 1.696
DE - Germania 798
BR - Brasile 753
UA - Ucraina 626
VN - Vietnam 620
IT - Italia 533
HK - Hong Kong 529
TR - Turchia 416
GB - Regno Unito 401
FR - Francia 245
RU - Federazione Russa 191
FI - Finlandia 184
JP - Giappone 174
BD - Bangladesh 156
SE - Svezia 140
CA - Canada 129
IN - India 118
MX - Messico 116
AR - Argentina 95
PL - Polonia 92
IQ - Iraq 59
ES - Italia 56
ID - Indonesia 52
ZA - Sudafrica 42
CO - Colombia 41
NL - Olanda 37
VE - Venezuela 34
BE - Belgio 30
EC - Ecuador 30
IE - Irlanda 29
PK - Pakistan 27
PH - Filippine 24
MY - Malesia 22
SA - Arabia Saudita 22
MA - Marocco 20
UZ - Uzbekistan 20
KR - Corea 19
CH - Svizzera 18
AT - Austria 16
JM - Giamaica 16
KE - Kenya 16
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
CR - Costa Rica 9
JO - Giordania 9
RO - Romania 9
AU - Australia 8
ET - Etiopia 8
PY - Paraguay 8
BO - Bolivia 7
KZ - Kazakistan 7
OM - Oman 7
UY - Uruguay 7
DZ - Algeria 6
GT - Guatemala 6
IL - Israele 6
NP - Nepal 6
PT - Portogallo 6
HR - Croazia 5
NA - Namibia 5
TH - Thailandia 5
AL - Albania 4
CG - Congo 4
CZ - Repubblica Ceca 4
HN - Honduras 4
PS - Palestinian Territory 4
SK - Slovacchia (Repubblica Slovacca) 4
TT - Trinidad e Tobago 4
AM - Armenia 3
BG - Bulgaria 3
DO - Repubblica Dominicana 3
GR - Grecia 3
KG - Kirghizistan 3
NO - Norvegia 3
QA - Qatar 3
RS - Serbia 3
TW - Taiwan 3
AO - Angola 2
AZ - Azerbaigian 2
BH - Bahrain 2
DK - Danimarca 2
IR - Iran 2
KW - Kuwait 2
MD - Moldavia 2
NI - Nicaragua 2
NZ - Nuova Zelanda 2
SN - Senegal 2
SV - El Salvador 2
SY - Repubblica araba siriana 2
TL - Timor Orientale 2
ZM - Zambia 2
A2 - ???statistics.table.value.countryCode.A2??? 1
Totale 24.838
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Città #
Singapore 1.396
Fairfield 1.385
Ashburn 1.294
Woodbridge 1.261
Houston 943
San Jose 772
Jacksonville 706
Santa Clara 660
Ann Arbor 626
Chandler 585
Beijing 520
Hong Kong 519
Seattle 506
Wilmington 476
Cambridge 439
Council Bluffs 336
Izmir 260
Ho Chi Minh City 198
Dallas 193
Nanjing 182
New York 175
Tokyo 159
Princeton 153
Los Angeles 150
Hanoi 145
San Diego 145
Boardman 135
Lauterbourg 135
Warsaw 81
Ferrara 78
Nanchang 73
São Paulo 73
Addison 71
Mexico City 70
Munich 66
Moscow 63
The Dalles 57
Tianjin 55
Milan 52
Menlo Park 51
Shenyang 49
Toronto 48
Chicago 47
London 44
Atlanta 41
Orem 41
Brooklyn 39
Shanghai 39
Denver 38
Hefei 35
Jiaxing 35
Changsha 34
Haiphong 33
Hebei 33
Da Nang 32
Stockholm 32
Falkenstein 31
Helsinki 29
Montreal 29
Rio de Janeiro 29
Rome 29
Barcelona 28
Brussels 28
Chennai 28
Redwood City 28
Bologna 27
Phoenix 27
Columbus 26
San Francisco 26
Mountain View 25
Rennes 25
Zhengzhou 25
Falls Church 24
Frankfurt am Main 24
Jakarta 24
Baghdad 21
Johannesburg 21
Buffalo 20
Jinan 20
Ankara 19
Kunming 19
Des Moines 18
Guangzhou 18
Indiana 18
Medellín 18
Verona 18
Boston 17
Brasília 17
Manchester 17
Norwalk 17
Tashkent 17
Belo Horizonte 16
Amsterdam 15
Curitiba 15
Hangzhou 15
San Mateo 14
Tappahannock 14
Turku 14
Auburn Hills 13
Nuremberg 13
Totale 16.800
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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 392
FRODO program for Mathematica 264
A CASSCF theoretical study of the vibrational frequencies and structure of formaldehyde, acetaldehyde and acetone valence excited states 263
An application of second and third-order n-electron valence state perturbation theory to the calculation of the vertical electronic spectrum of furan 257
A multireference perturbation theory study on the vertical electronic spectrum of thiophene 253
Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds? 252
DALTON Release 2 Program 249
A multireference n-electron Valence State Perturbation Theory study of the electronic spectrum of s-tetrazine 248
A Simple Approximate Perturbation Approach to Quasi-degenerate Systems 245
A comparison of various approaches in internally contracted multireference configuration interaction: the carbon dimer as a test case 244
A convenient decontraction procedure of internally contracted state-specific multireference algorithms 242
Application of a “charge-averaged” second order Multireference Perturbation Theory strategy to the study of a model Mixed-Valence compound. 241
A quasidegenerate formulation of the second order n-electron valence state perturbation theory approach 240
The vertical electronic spectrum of pyrrole: A second and third order n-electron valence state perturbation theory study 239
The "fermi hole" and the correlation introduced by the symmetrization or the anti-symmetrization of the wave function 233
A theoretical study of BeN linear chains: Variational and perturbative approaches 231
A surface hopping study of energy transfer in Na + Cd* collisions 230
OpenMolcas: From Source Code to Insight 230
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 229
A computational study of salt diffusion and heat extraction in solar pond plants 222
An ab initio multireference perturbation theory study on the manganese dimer 222
A priori complete active space self consistent field localized orbitals: an application on linear polyenes 221
A one-dimensional numerical study of the salt diffusion in a salinity-gradient solar pond 220
A multireference perturbation theory study on the Fe2 molecule: in quest of the ground state 219
New perspectives in multireference perturbation theory: the n-electron valence state approach 214
Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States 213
DALTON2011 Program 209
Metal-ligand delocalization and spin density in the CuCl2 and [CuCl4]2- molecules: Some insights from wave function theory 204
Assessment of Multireference Perturbation Methods for Chemical Reaction Barrier Heights 204
Third-order multireference perturbation theory: the n-electron valence state perturbation theory approach 203
Ab initio n-electron valence state perturbation theory study of the adiabatic transitions in carbonyl molecules: formaldehyde, acetaldehyde and acetone 202
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 201
A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves 200
Electronic reorganization triggered by electron transfer: The intervalence charge transfer of a Fe3+/Fe2+bimetallic complex 197
Developments in the n-electron valence state perturbation theory 197
The effect of the basis-set superposition error on the calculation of dispersion interactions: a test study on the neon dimer 194
Common Format for Quantum Chemistry Interoperability: Q5Cost Format and Library 193
An application of second-order n-electron valence state perturbation theory to the calculation of excited states 189
The Spin-Partitioned Total-Position Spread Tensor: An Application to Diatomic Molecules 189
Photoionization of furan from the ground and excited electronic states 187
The problem of interoperability: a common data format for Quantum Chemistry codes 186
FORTRAN interface for code interoperability in Quantum chemistry: The Q5cost library 182
Optical absorption spectrum of the N3 solar cell sensitizer by second-order multireference perturbation theory 182
N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant 181
A novel perturbation-based CAS-SCF algorithm: application to the direct calculation of localized orbitals 180
The calculation of the correlation energy in ground and excited states: the n-electron valence state perturbation theory approach. 180
Spin density and orbital optimization in open shell systems: A rational and computationally efficient proposal 179
Charge-displacement analysis for excited states 178
Multiple complete active space self-consistent field solutions 177
Threshold photoionization study of Fe(CO)5 versus ab-initio calculations 176
Unravelling the luminescence spectrum of garnet grossular var. tsavorite: The role of chromium (III), manganese (II) and misattribution of vanadium (II) 175
The effect of thermodiffusion on the stability of a salinity gradient solar pond 174
Calibration of the n-electron valence state perturbation theory approach 174
Ground state of the Mo2, W2 and MoCr molecules: a second and third order multireference perturbation theory study 173
On the controversial nature of the 1 1Bu and 2 1Bu states of trans-stilbene: The n -electron valence state perturbation theory approach 173
FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions 173
Multireference perturbation C.I. III. Fast evaluation of the one-particle density matrix 172
“Caging” Anions through Crystal Engineering to Avoid Polymerization: Structural, Conformational and Theoretical Investigations of New Halocadmate [Cd2X7]3– Anions (X = Cl/Br) 172
Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model 171
NEVPT2 perturbation theory: applications to valence and Rydberg excited states of formaldehyde. 171
Kmonodim: a Program for the Numerical Solution of the One-Dimensional Schroedinger Equation 171
Quasi--diabatic and adiabatic states and potential energy curves for Na-Cd collisions and excimer formation 170
The role of the magnetic orbitals in the calculation of the magnetic coupling constants from multireference perturbation theory methods 170
Aromaticity: an ab Initio Evaluation of the Properly Cyclic Delocalization Energy and the π-Delocalization Energy Distortivity of Benzene 168
On the relative merits of non-orthogonal and orthogonal Valence Bond methods illustrated on the hydrogen molecule 168
Computation of the Isotropic Hyperfine Coupling Constant: Efficiency and Insights from a New Approach Based on Wave Function Theory 167
Multireference perturbation C.I. I. Extrapolation procedures with CAS or selected zero-order spaces 165
On the nature of the π -> π* ionic excited states: The V state of ethene as a prototype 165
Metal-to-metal charge-transfer transitions: reliable excitation energies from ab initio calculations 165
Multireference perturbation CI II: selection of the zero-order space 164
On the Maxwell−Stefan Approach to Diffusion: A General Resolution in the Transient Regime for One-Dimensional Systems 164
Geometry optimization within a localized CAS-SCF approach 163
An analysis of the dynamic sigma polarization in the V state of ethene 163
Excitation energies of retinal chromophores: critical role of the structural model 163
Analysis of the magnetic coupling in binuclear systems. III. The role of the ligand to metal charge transfer excitations revisited 163
Influence of the interaction potential and of the temperature on the thermodiffusion (Soret) coefficient in a model system 162
N-electron valence state perturbation theory: a spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants 161
Beryllium-Dimer: a Bond Based on Non-Dynamical Correlation 161
Theoretical study of Na(4p2P) + Na(3s2P) and Cd(5p3P0) + Na(3s2S) collisions and their role in the energy transfer between Cd* and Na 160
Temperature and composition dependence of the Soret coefficient in Lennard-Jones mixtures presenting consolute critical phenomena 160
The Møller–Plesset perturbation revisited: origin of high-order divergences 160
The localization tensor for the H2 molecule: Closed formulae for the Heitler-London and related wavefunctions and comparison with full configuration interaction 160
The use of local orbitals in multireference calculations 160
Temperature and composition dependence of the Soret coefficient in Lennard-Jones mixtures presenting evaporation/condensation phase transition 158
The electronic structure of Ullman's biradicals: an orthogonal valence bond interpretation 158
Dynamical photoionization observables of the CS molecule: The role of electron correlation 158
Multireference perturbation CI IV. Selection procedure for one-electron properties 157
Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group 156
Local orbitals for quasi-degenerate systems 155
Bond electron pair: its relevance and analysis from the quantum chemistry point of view 154
Extending the active space in multireference configuration interaction calculations of magnetic coupling constants 153
Analysis of the magnetic coupling in nitroxide organic biradicals 153
Joint Meeting of the Physical Chemistry and Electrochemistry Divisions of the Italian Chemical Society 152
Introduction of n-electron valence states for multireference perturbation theory 151
TRATTAMENTO DI ACQUE CONTAMINATE DA IDROCARBURI MEDIANTE ZEOLITI: SELETTIVITÀ DI ADSORBIMENTO IN PRESENZA DI CONTAMINANTI IN MISCELA. 149
On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes 149
Computer assisted generation of the matrix elements between contracted wavefunctions in a Complete Active Space scheme 149
A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function 149
Magnetic behaviour vs. structural changes in a isomeric series of binuclear copper(II) complexes: an experimental and theoretical study 148
The lowest singlet states of octatetraene revisited 148
Totale 18.981
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Categoria #
all - tutte 113.875
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 1.327
Totale 115.202
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2021/20221.266 0 0 194 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
2025/20268.477 619 465 744 1.247 1.110 504 813 452 971 1.059 290 203
2026/20271.173 306 433 434 0 0 0 0 0 0 0 0 0
Totale 25.046