SFERA Archivio dei prodotti della Ricerca dell'Università di Ferrara

CIMIRAGLIA, Renzo
 Distribuzione geografica
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Continente #
NA - Nord America 10.760
AS - Asia 5.878
EU - Europa 2.706
SA - Sud America 905
AF - Africa 104
OC - Oceania 3
Continente sconosciuto - Info sul continente non disponibili 1
Totale 20.357
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Nazione #
US - Stati Uniti d'America 10.538
SG - Singapore 2.085
CN - Cina 1.627
UA - Ucraina 705
BR - Brasile 695
DE - Germania 626
VN - Vietnam 599
HK - Hong Kong 515
TR - Turchia 431
GB - Regno Unito 354
FI - Finlandia 190
FR - Francia 181
IT - Italia 174
JP - Giappone 168
RU - Federazione Russa 164
SE - Svezia 134
MX - Messico 125
IN - India 109
AR - Argentina 85
CA - Canada 73
BD - Bangladesh 58
IQ - Iraq 57
PL - Polonia 51
ID - Indonesia 41
ZA - Sudafrica 32
CO - Colombia 29
PK - Pakistan 27
VE - Venezuela 26
EC - Ecuador 23
BE - Belgio 22
ES - Italia 22
MY - Malesia 21
NL - Olanda 20
SA - Arabia Saudita 19
PH - Filippine 18
CL - Cile 15
EG - Egitto 14
UZ - Uzbekistan 14
MA - Marocco 12
TN - Tunisia 12
AE - Emirati Arabi Uniti 11
PY - Paraguay 11
LT - Lituania 10
CH - Svizzera 9
UY - Uruguay 9
KE - Kenya 8
PE - Perù 8
HU - Ungheria 7
IL - Israele 7
KZ - Kazakistan 7
TH - Thailandia 7
TW - Taiwan 7
AT - Austria 6
JM - Giamaica 6
JO - Giordania 6
KR - Corea 6
DZ - Algeria 5
OM - Oman 5
BG - Bulgaria 4
CR - Costa Rica 4
HN - Honduras 4
NO - Norvegia 4
NP - Nepal 4
PS - Palestinian Territory 4
QA - Qatar 4
RO - Romania 4
BO - Bolivia 3
CZ - Repubblica Ceca 3
DO - Repubblica Dominicana 3
ET - Etiopia 3
GA - Gabon 3
KG - Kirghizistan 3
PT - Portogallo 3
RS - Serbia 3
SN - Senegal 3
SY - Repubblica araba siriana 3
TT - Trinidad e Tobago 3
AL - Albania 2
CI - Costa d'Avorio 2
DK - Danimarca 2
GE - Georgia 2
GR - Grecia 2
IR - Iran 2
KW - Kuwait 2
NG - Nigeria 2
AU - Australia 1
AZ - Azerbaigian 1
BH - Bahrain 1
BJ - Benin 1
BW - Botswana 1
CG - Congo 1
CY - Cipro 1
GT - Guatemala 1
IE - Irlanda 1
IS - Islanda 1
LB - Libano 1
LV - Lettonia 1
MD - Moldavia 1
MM - Myanmar 1
MN - Mongolia 1
Totale 20.342
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Città #
Singapore 1.397
Woodbridge 1.192
Fairfield 921
Jacksonville 783
Houston 773
Ashburn 755
Chandler 681
Ann Arbor 528
Santa Clara 525
San Jose 522
Hong Kong 507
Beijing 430
Seattle 351
Wilmington 326
Cambridge 293
Izmir 248
Nanjing 210
Ho Chi Minh City 196
Tokyo 157
Princeton 154
Boardman 143
Hanoi 141
San Diego 139
Lauterbourg 123
New York 110
Los Angeles 105
Dallas 96
Mexico City 84
Shenyang 72
Munich 71
São Paulo 69
Nanchang 63
Tianjin 59
Moscow 53
Addison 50
Hebei 45
Warsaw 43
Changsha 42
London 39
Orem 39
Chicago 38
Jiaxing 38
The Dalles 37
Da Nang 34
Shanghai 32
Denver 31
Chennai 30
Atlanta 29
Helsinki 29
Brooklyn 27
Ferrara 27
Hefei 27
Redwood City 27
Zhengzhou 27
Haiphong 26
Rio de Janeiro 26
Jinan 25
Milan 25
Mountain View 23
Brussels 22
Stockholm 22
Baghdad 21
Kunming 21
Falkenstein 20
Montreal 20
Norwalk 19
Brasília 18
Frankfurt am Main 18
Toronto 18
Ankara 17
Biên Hòa 17
Falls Church 17
Guangzhou 17
Indiana 16
Johannesburg 16
Ningbo 16
Des Moines 14
Turku 14
Buenos Aires 13
Nuremberg 13
Orange 13
San Francisco 13
Auburn Hills 12
Boston 12
Manchester 12
Medellín 12
Mumbai 12
Tashkent 12
Belo Horizonte 11
Columbus 11
Curitiba 11
Guayaquil 11
Hangzhou 11
Istanbul 11
Querétaro 11
Tappahannock 11
Amsterdam 10
Buffalo 10
Campinas 10
Changchun 10
Totale 13.688
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Nome #
FRODO program for Mathematica 253
A CASSCF theoretical study of the vibrational frequencies and structure of formaldehyde, acetaldehyde and acetone valence excited states 251
An application of second and third-order n-electron valence state perturbation theory to the calculation of the vertical electronic spectrum of furan 246
A multireference n-electron Valence State Perturbation Theory study of the electronic spectrum of s-tetrazine 245
Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds? 239
A comparison of various approaches in internally contracted multireference configuration interaction: the carbon dimer as a test case 239
A multireference perturbation theory study on the vertical electronic spectrum of thiophene 238
Application of a “charge-averaged” second order Multireference Perturbation Theory strategy to the study of a model Mixed-Valence compound. 235
A Simple Approximate Perturbation Approach to Quasi-degenerate Systems 234
The vertical electronic spectrum of pyrrole: A second and third order n-electron valence state perturbation theory study 232
DALTON Release 2 Program 232
A convenient decontraction procedure of internally contracted state-specific multireference algorithms 230
A quasidegenerate formulation of the second order n-electron valence state perturbation theory approach 228
A theoretical study of BeN linear chains: Variational and perturbative approaches 225
A priori complete active space self consistent field localized orbitals: an application on linear polyenes 215
An ab initio multireference perturbation theory study on the manganese dimer 214
A multireference perturbation theory study on the Fe2 molecule: in quest of the ground state 207
New perspectives in multireference perturbation theory: the n-electron valence state approach 203
Ab initio quasirelativistic calculations on angular momentum and magnetic couplings of molecular electronic states 202
DALTON2011 Program 197
Assessment of Multireference Perturbation Methods for Chemical Reaction Barrier Heights 195
Third-order multireference perturbation theory: the n-electron valence state perturbation theory approach 192
Ab initio n-electron valence state perturbation theory study of the adiabatic transitions in carbonyl molecules: formaldehyde, acetaldehyde and acetone 190
Molecular trapping of nuclei produced in neutrino capture reactions 185
Developments in the n-electron valence state perturbation theory 183
An application of second-order n-electron valence state perturbation theory to the calculation of excited states 180
Photoionization of furan from the ground and excited electronic states 180
The problem of interoperability: a common data format for Quantum Chemistry codes 179
A Theoretical study on the dissociation reaction of dioxirane: H2CO2 to H2 + CO2 177
FORTRAN interface for code interoperability in Quantum chemistry: The Q5cost library 176
The calculation of the correlation energy in ground and excited states: the n-electron valence state perturbation theory approach. 173
A novel perturbation-based CAS-SCF algorithm: application to the direct calculation of localized orbitals 172
Charge-displacement analysis for excited states 172
Energy and radiative properties of the low-lying NaRb states 171
N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant 171
A theoretical study of the phosphorescence lifetimes of H_2CO, CH_3CHO and (CH_3)_2CO 167
Calibration of the n-electron valence state perturbation theory approach 166
FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions 165
Ground state of the Mo2, W2 and MoCr molecules: a second and third order multireference perturbation theory study 164
Multiple complete active space self-consistent field solutions 164
Ab initio study of the photodissociation of nitrosoalkanes and nitrosamines 163
On the relative merits of non-orthogonal and orthogonal Valence Bond methods illustrated on the hydrogen molecule 163
Multireference perturbation C.I. III. Fast evaluation of the one-particle density matrix 162
NEVPT2 perturbation theory: applications to valence and Rydberg excited states of formaldehyde. 162
Kmonodim: a Program for the Numerical Solution of the One-Dimensional Schroedinger Equation 162
Geometry optimization within a localized CAS-SCF approach 159
A preliminary ab initio investigation of the fate of the oxirane cation after vertical ionization of the oxirane molecule 159
Multireference perturbation C.I. I. Extrapolation procedures with CAS or selected zero-order spaces 158
Dynamical photoionization observables of the CS molecule: The role of electron correlation 155
Correlation energy, thermal energy and entropy effects in stabilizing different secondary structures of peptides 154
Multireference perturbation CI IV. Selection procedure for one-electron properties 153
Local orbitals for quasi-degenerate systems 152
N-electron valence state perturbation theory: a spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants 151
The use of local orbitals in multireference calculations 151
Adiabatic and Diabatic Basis Sets in molecular Calculations 151
Diagrammatic formulation of the second-order many-body multipartitioning perturbation theory 150
The low-lying states of the scandium dimer 149
On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes 147
Simplified treatment of organic substituents in SCF-CI calculations. The methyl group 147
Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program 145
Multireference perturbation theory can predict a false ground state 144
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model 142
Electronic structure investigation of the evanescent AtO+ ion. 140
Theoretical investigations on the solvation process - II. The monohydrated associates of some three-membered ring molecules 139
Computer assisted generation of the matrix elements between contracted wavefunctions in a Complete Active Space scheme 139
Many-body multireference Moeller-Plesset and Epstein-Nesbet perturbation theory: fast evaluation of second-order energy contributions 138
Non-orthogonal and orthogonal valence bond wavefunctions in the hydrogen molecule: the diabatic view 138
Ab initio evaluation of absorption and emission transitions for molecular solutes, including separate consideration of orientational and inductive solvent effects 137
Mechanism of thermal Z/E isomerization of aromatic azo compounds. Relation between rotation and inversion states 136
Theoretical description of the conformation and the tautomerism of progabide 136
Introduction of n-electron valence states for multireference perturbation theory 135
X-ray absorption and resonant Auger spectroscopy of O2 in the vicinity of the O 1s → σ* resonance: Experiment and theory 135
Multipole expansions of the electrostatic molecular potential 132
Multireference perturbation configuration interaction. V. Third-order energy contributions in the Moller-Plesset and Epstein-Nesbet partitions. 129
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 129
Merging multireference perturbation and density-functional theories by means of range separations: Potential curves for Be2, Mg2 and Ca2 126
Non adiabatic interactions in the symmetric ring opening process of dioxirane 126
Base‐induced reactions of isothiazolium salts with active 5‐methyl or 5‐methylene groups 125
The evaluation of non adiabatic matrix elements. A comparison of different approximations applied to LiH X-A ^1\Sigma^+ 125
Structure and tautomerism om maleic hydrazide 124
Contracted and supercontracted basis sets in the theoretical treatment of coordination compounds: the cyclopentadienyl anion and ferrocene 122
The origin of lambda doubling effect for the B1Pi and D1Pi states of NaK 121
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 120
Alternative paths in the ring opening of oxadiaziridine: The diimide N-oxide versus the oxodiimide rearrangement - An ab initio study 120
A conformational basis for the description of the thermal E/Z isomerization of aromatic azo and azomethine compounds 120
Theoretical investigations on the solvation process. III. STO double-zeta SCF calculations on the hydrated proton H5O2+ 120
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 119
Study of homonuclear diatomic molecules containing multiple bonds using the NEV-PT perturbation theory. 119
Mechanism of thermal Z/E isomerization of substituted N-benzylidenanilines. Nature of the activated complex with an sp-hybridized nitrogen atom 118
On the A1Π-X1Σ+ transition in BH: Λ-doubling and vibrational structure Ab initio calculations 117
Study of correlation holes. II. CI calculations on model polyatomic systems 114
Comments on the diabatic representation 113
An ab initio study of the structure and electronic spectrum of 1,2-dithiete and 1,2-dithiin 113
Molecular calcium in interstellar space and circumstellar envelopes? A possible candidate: CaC_2 112
An ab initio study of the lowest ^1,3\Sigma^+ states of BH. Quasi diabatic curves and vibronic couplings 112
The mechanism of carbonyl reduction by LiBH_4 : an ab initio investigation with inclusion of solvent effects 109
Quantum wavepacket dynamics for the ^1\Sigma^+ states of Boron Hydride 108
On the free energy changes of a solution in light absorption or emission processes 107
Can hexazine (N_6) be stable? 107
On the direct calculation of the time evolution of excited molecular states in the presence of non adiabatic interactions 105
Totale 16.151
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Categoria #
all - tutte 94.910
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 1.192
Totale 96.102
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/202161 0 0 0 0 0 0 0 0 0 0 0 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
2025/20267.217 539 394 656 1.289 1.023 433 591 383 849 852 178 30
Totale 20.472