SFERA Archivio dei prodotti della Ricerca dell'Università di Ferrara

CIMIRAGLIA, Renzo
 Distribuzione geografica
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Continente #
NA - Nord America 9.641
AS - Asia 4.414
EU - Europa 2.457
SA - Sud America 742
AF - Africa 59
OC - Oceania 2
Continente sconosciuto - Info sul continente non disponibili 1
Totale 17.316
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Nazione #
US - Stati Uniti d'America 9.456
SG - Singapore 1.672
CN - Cina 1.404
UA - Ucraina 705
BR - Brasile 620
DE - Germania 610
HK - Hong Kong 451
TR - Turchia 403
GB - Regno Unito 344
VN - Vietnam 235
FI - Finlandia 180
IT - Italia 155
RU - Federazione Russa 142
SE - Svezia 129
MX - Messico 111
AR - Argentina 62
IN - India 60
CA - Canada 59
PL - Polonia 47
FR - Francia 44
JP - Giappone 43
ID - Indonesia 35
ZA - Sudafrica 25
IQ - Iraq 24
BE - Belgio 22
BD - Bangladesh 21
EC - Ecuador 17
ES - Italia 17
NL - Olanda 13
CO - Colombia 11
UZ - Uzbekistan 10
EG - Egitto 9
VE - Venezuela 9
AE - Emirati Arabi Uniti 8
LT - Lituania 8
PY - Paraguay 7
AT - Austria 6
CH - Svizzera 5
CL - Cile 5
HU - Ungheria 5
IL - Israele 5
PE - Perù 5
TN - Tunisia 5
UY - Uruguay 5
BG - Bulgaria 4
HN - Honduras 4
JM - Giamaica 4
KR - Corea 4
KZ - Kazakistan 4
MA - Marocco 4
RO - Romania 4
SA - Arabia Saudita 4
TW - Taiwan 4
CZ - Repubblica Ceca 3
ET - Etiopia 3
GA - Gabon 3
KE - Kenya 3
OM - Oman 3
PK - Pakistan 3
PT - Portogallo 3
TH - Thailandia 3
TT - Trinidad e Tobago 3
CR - Costa Rica 2
DK - Danimarca 2
IR - Iran 2
JO - Giordania 2
MY - Malesia 2
NO - Norvegia 2
PS - Palestinian Territory 2
RS - Serbia 2
SY - Repubblica araba siriana 2
AU - Australia 1
BO - Bolivia 1
BW - Botswana 1
CG - Congo 1
CI - Costa d'Avorio 1
DO - Repubblica Dominicana 1
DZ - Algeria 1
GR - Grecia 1
IE - Irlanda 1
IS - Islanda 1
KG - Kirghizistan 1
KW - Kuwait 1
LB - Libano 1
LV - Lettonia 1
MD - Moldavia 1
MM - Myanmar 1
MN - Mongolia 1
MZ - Mozambico 1
NA - Namibia 1
NG - Nigeria 1
NZ - Nuova Zelanda 1
PA - Panama 1
QA - Qatar 1
TL - Timor Orientale 1
XK - ???statistics.table.value.countryCode.XK??? 1
YE - Yemen 1
Totale 17.316
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Città #
Woodbridge 1.192
Singapore 1.022
Fairfield 921
Jacksonville 783
Houston 770
Chandler 681
Ashburn 568
Ann Arbor 528
Santa Clara 506
Hong Kong 449
Beijing 386
Seattle 351
Wilmington 326
Cambridge 293
Izmir 248
Nanjing 210
Princeton 154
Boardman 143
San Diego 138
Los Angeles 97
New York 96
Dallas 92
Ho Chi Minh City 80
Mexico City 78
Shenyang 72
Munich 71
São Paulo 66
Nanchang 62
Tianjin 56
Hanoi 51
Addison 50
Hebei 45
Changsha 42
Warsaw 41
Jiaxing 38
Chicago 35
London 35
Moscow 34
Tokyo 34
Shanghai 32
Denver 28
Redwood City 27
Brooklyn 26
Ferrara 26
Hefei 26
Zhengzhou 26
Jinan 25
Milan 25
Mountain View 23
Brussels 22
Chennai 22
Rio de Janeiro 22
Atlanta 21
Kunming 21
Stockholm 21
Falkenstein 20
Helsinki 19
Norwalk 19
The Dalles 19
Montreal 18
Brasília 17
Falls Church 17
Guangzhou 17
Indiana 16
Ningbo 16
Orem 16
Toronto 16
Ankara 15
Frankfurt am Main 15
Des Moines 14
Johannesburg 14
Turku 14
Orange 13
San Francisco 13
Auburn Hills 12
Biên Hòa 12
Boston 12
Columbus 11
Querétaro 11
Tappahannock 11
Belo Horizonte 10
Buenos Aires 10
Changchun 10
Curitiba 10
Mumbai 10
Poplar 10
San Mateo 10
Tashkent 10
Campinas 9
Da Nang 9
Hangzhou 9
Jakarta 9
Manchester 9
Guarulhos 8
Guayaquil 8
Philadelphia 8
Phoenix 8
Salt Lake City 8
Baghdad 7
Bologna 7
Totale 11.793
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Nome #
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 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 187
An ab initio multireference perturbation theory study on the manganese dimer 182
A priori complete active space self consistent field localized orbitals: an application on linear polyenes 180
Molecular trapping of nuclei produced in neutrino capture reactions 175
Ab initio quasirelativistic calculations on angular momentum and magnetic couplings of molecular electronic states 171
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
Photoionization of furan from the ground and excited electronic states 158
The calculation of the correlation energy in ground and excited states: the n-electron valence state perturbation theory approach. 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
A Theoretical study on the dissociation reaction of dioxirane: H2CO2 to H2 + CO2 152
N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant 148
Developments in the n-electron valence state perturbation theory 148
FORTRAN interface for code interoperability in Quantum chemistry: The Q5cost library 145
A theoretical study of the phosphorescence lifetimes of H_2CO, CH_3CHO and (CH_3)_2CO 143
FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions 143
Calibration of the n-electron valence state perturbation theory approach 143
Energy and radiative properties of the low-lying NaRb states 142
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
On the relative merits of non-orthogonal and orthogonal Valence Bond methods illustrated on the hydrogen molecule 141
Charge-displacement analysis for excited states 140
A preliminary ab initio investigation of the fate of the oxirane cation after vertical ionization of the oxirane molecule 138
Multireference perturbation C.I. I. Extrapolation procedures with CAS or selected zero-order spaces 137
Correlation energy, thermal energy and entropy effects in stabilizing different secondary structures of peptides 136
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
Diagrammatic formulation of the second-order many-body multipartitioning perturbation theory 135
Multiple complete active space self-consistent field solutions 135
Adiabatic and Diabatic Basis Sets in molecular Calculations 134
Ground state of the Mo2, W2 and MoCr molecules: a second and third order multireference perturbation theory study 133
Kmonodim: a Program for the Numerical Solution of the One-Dimensional Schroedinger Equation 133
Dynamical photoionization observables of the CS molecule: The role of electron correlation 132
Ab initio study of the photodissociation of nitrosoalkanes and nitrosamines 131
The use of local orbitals in multireference calculations 131
Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program 131
Multireference perturbation theory can predict a false ground state 131
The low-lying states of the scandium dimer 129
NEVPT2 perturbation theory: applications to valence and Rydberg excited states of formaldehyde. 129
On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes 126
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
Simplified treatment of organic substituents in SCF-CI calculations. The methyl group 125
Non-orthogonal and orthogonal valence bond wavefunctions in the hydrogen molecule: the diabatic view 123
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model 121
Many-body multireference Moeller-Plesset and Epstein-Nesbet perturbation theory: fast evaluation of second-order energy contributions 119
Theoretical investigations on the solvation process - II. The monohydrated associates of some three-membered ring molecules 119
Mechanism of thermal Z/E isomerization of aromatic azo compounds. Relation between rotation and inversion states 117
Ab initio evaluation of absorption and emission transitions for molecular solutes, including separate consideration of orientational and inductive solvent effects 117
Multipole expansions of the electrostatic molecular potential 116
Multireference perturbation configuration interaction. V. Third-order energy contributions in the Moller-Plesset and Epstein-Nesbet partitions. 111
Introduction of n-electron valence states for multireference perturbation theory 110
Non adiabatic interactions in the symmetric ring opening process of dioxirane 110
Theoretical description of the conformation and the tautomerism of progabide 110
Merging multireference perturbation and density-functional theories by means of range separations: Potential curves for Be2, Mg2 and Ca2 109
Base‐induced reactions of isothiazolium salts with active 5‐methyl or 5‐methylene groups 109
The evaluation of non adiabatic matrix elements. A comparison of different approximations applied to LiH X-A ^1\Sigma^+ 109
X-ray absorption and resonant Auger spectroscopy of O2 in the vicinity of the O 1s → σ* resonance: Experiment and theory 108
The origin of lambda doubling effect for the B1Pi and D1Pi states of NaK 107
Study of homonuclear diatomic molecules containing multiple bonds using the NEV-PT perturbation theory. 106
A Theoretical description of the trans- cis conversion in the lowest excited states of diimide. A comparison of different methods for the calculation of excited state wave functions 104
Theoretical investigations on the solvation process. III. STO double-zeta SCF calculations on the hydrated proton H5O2+ 104
Structure and tautomerism om maleic hydrazide 103
The cis- trans thermal and photochemical interconversion mechanism in the diimide N-oxide. A comparison of the results obtainable with different ab initio calculation techniques 102
Nonempirical investigations on the azomethine group. 1. The effect of the conjugation with a phenyl ring. A comparison of the electronic structure of the ground and lowest excited states in benzaldimine and N- phenylformaldimine 101
Mechanism of thermal Z/E isomerization of substituted N-benzylidenanilines. Nature of the activated complex with an sp-hybridized nitrogen atom 101
Alternative paths in the ring opening of oxadiaziridine: The diimide N-oxide versus the oxodiimide rearrangement - An ab initio study 100
An ab initio study of the lowest ^1,3\Sigma^+ states of BH. Quasi diabatic curves and vibronic couplings 99
Contracted and supercontracted basis sets in the theoretical treatment of coordination compounds: the cyclopentadienyl anion and ferrocene 99
null 98
Study of correlation holes. II. CI calculations on model polyatomic systems 97
Comments on the diabatic representation 97
An ab initio study of the structure and electronic spectrum of 1,2-dithiete and 1,2-dithiin 97
On the A1Π-X1Σ+ transition in BH: Λ-doubling and vibrational structure Ab initio calculations 96
Quantum wavepacket dynamics for the ^1\Sigma^+ states of Boron Hydride 94
A conformational basis for the description of the thermal E/Z isomerization of aromatic azo and azomethine compounds 94
Can hexazine (N_6) be stable? 93
Molecular calcium in interstellar space and circumstellar envelopes? A possible candidate: CaC_2 93
On the free energy changes of a solution in light absorption or emission processes 92
Proton and Lithium cation interactions with hydrogen sulfide and hydrogen persulfide 92
Totale 13.804
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Categoria #
all - tutte 85.871
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 1.089
Totale 86.960
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021857 0 0 0 0 0 187 19 207 22 190 171 61
2021/20221.416 38 140 125 24 75 111 71 76 60 114 132 450
2022/20231.445 168 69 36 180 234 259 10 149 198 12 76 54
2023/2024510 82 112 14 16 32 47 14 16 7 12 6 152
2024/20252.242 79 144 210 34 303 229 12 188 263 279 293 208
2025/20264.176 539 394 656 1.289 1.023 275 0 0 0 0 0 0
Totale 17.431