SFERA Archivio dei prodotti della Ricerca dell'Università di Ferrara

CIMIRAGLIA, Renzo
 Distribuzione geografica
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Continente #
NA - Nord America 9.597
AS - Asia 4.338
EU - Europa 2.453
SA - Sud America 737
AF - Africa 56
OC - Oceania 2
Totale 17.183
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Nazione #
US - Stati Uniti d'America 9.414
SG - Singapore 1.622
CN - Cina 1.399
UA - Ucraina 705
BR - Brasile 617
DE - Germania 610
HK - Hong Kong 451
TR - Turchia 402
GB - Regno Unito 341
VN - Vietnam 223
FI - Finlandia 180
IT - Italia 155
RU - Federazione Russa 141
SE - Svezia 129
MX - Messico 109
AR - Argentina 61
CA - Canada 59
IN - India 59
PL - Polonia 47
FR - Francia 44
JP - Giappone 41
ID - Indonesia 35
ZA - Sudafrica 24
BE - Belgio 22
BD - Bangladesh 21
IQ - Iraq 21
EC - Ecuador 17
ES - Italia 17
NL - Olanda 13
CO - Colombia 11
UZ - Uzbekistan 10
EG - Egitto 9
VE - Venezuela 9
LT - Lituania 8
AE - Emirati Arabi Uniti 7
PY - Paraguay 7
AT - Austria 6
CH - Svizzera 5
HU - Ungheria 5
IL - Israele 5
PE - Perù 5
TN - Tunisia 5
UY - Uruguay 5
BG - Bulgaria 4
CL - Cile 4
HN - Honduras 4
JM - Giamaica 4
KR - Corea 4
KZ - Kazakistan 4
RO - Romania 4
SA - Arabia Saudita 4
TW - Taiwan 4
CZ - Repubblica Ceca 3
GA - Gabon 3
KE - Kenya 3
MA - Marocco 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
ET - Etiopia 2
IR - Iran 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
JO - Giordania 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
YE - Yemen 1
Totale 17.183
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Città #
Woodbridge 1.192
Singapore 972
Fairfield 921
Jacksonville 783
Houston 769
Chandler 681
Ashburn 554
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 94
Dallas 92
New York 92
Mexico City 77
Ho Chi Minh City 75
Shenyang 72
Munich 71
São Paulo 66
Nanchang 62
Tianjin 56
Addison 50
Hanoi 49
Hebei 45
Changsha 42
Warsaw 41
Jiaxing 38
Chicago 34
London 34
Moscow 34
Tokyo 32
Shanghai 31
Redwood City 27
Brooklyn 26
Denver 26
Ferrara 26
Hefei 26
Zhengzhou 26
Jinan 25
Milan 25
Mountain View 23
Brussels 22
Chennai 22
Rio de Janeiro 22
Kunming 21
Stockholm 21
Falkenstein 20
Atlanta 19
Helsinki 19
Norwalk 19
The Dalles 19
Montreal 18
Brasília 17
Falls Church 17
Guangzhou 17
Indiana 16
Ningbo 16
Toronto 16
Frankfurt am Main 15
Orem 15
Ankara 14
Des Moines 14
Turku 14
Johannesburg 13
Orange 13
San Francisco 13
Auburn Hills 12
Boston 12
Biên Hòa 11
Columbus 11
Tappahannock 11
Belo Horizonte 10
Buenos Aires 10
Changchun 10
Querétaro 10
San Mateo 10
Tashkent 10
Campinas 9
Curitiba 9
Da Nang 9
Hangzhou 9
Jakarta 9
Mumbai 9
Poplar 9
Guarulhos 8
Guayaquil 8
Manchester 8
Philadelphia 8
Phoenix 8
Salt Lake City 8
Bologna 7
Dearborn 7
Totale 11.695
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Nome #
FRODO program for Mathematica 217
An application of second and third-order n-electron valence state perturbation theory to the calculation of the vertical electronic spectrum of furan 217
A CASSCF theoretical study of the vibrational frequencies and structure of formaldehyde, acetaldehyde and acetone valence excited states 213
Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds? 204
A multireference n-electron Valence State Perturbation Theory study of the electronic spectrum of s-tetrazine 204
Application of a “charge-averaged” second order Multireference Perturbation Theory strategy to the study of a model Mixed-Valence compound. 203
A Simple Approximate Perturbation Approach to Quasi-degenerate Systems 202
A multireference perturbation theory study on the vertical electronic spectrum of thiophene 201
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 191
A comparison of various approaches in internally contracted multireference configuration interaction: the carbon dimer as a test case 191
A convenient decontraction procedure of internally contracted state-specific multireference algorithms 191
DALTON Release 2 Program 186
A theoretical study of BeN linear chains: Variational and perturbative approaches 184
An ab initio multireference perturbation theory study on the manganese dimer 180
A priori complete active space self consistent field localized orbitals: an application on linear polyenes 177
Molecular trapping of nuclei produced in neutrino capture reactions 175
Ab initio quasirelativistic calculations on angular momentum and magnetic couplings of molecular electronic states 168
Third-order multireference perturbation theory: the n-electron valence state perturbation theory approach 168
A multireference perturbation theory study on the Fe2 molecule: in quest of the ground state 168
Assessment of Multireference Perturbation Methods for Chemical Reaction Barrier Heights 167
New perspectives in multireference perturbation theory: the n-electron valence state approach 166
DALTON2011 Program 162
Ab initio n-electron valence state perturbation theory study of the adiabatic transitions in carbonyl molecules: formaldehyde, acetaldehyde and acetone 161
Photoionization of furan from the ground and excited electronic states 157
The calculation of the correlation energy in ground and excited states: the n-electron valence state perturbation theory approach. 154
An application of second-order n-electron valence state perturbation theory to the calculation of excited states 153
The problem of interoperability: a common data format for Quantum Chemistry codes 152
A Theoretical study on the dissociation reaction of dioxirane: H2CO2 to H2 + CO2 149
N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant 147
Developments in the n-electron valence state perturbation theory 145
FORTRAN interface for code interoperability in Quantum chemistry: The Q5cost library 144
Calibration of the n-electron valence state perturbation theory approach 143
Energy and radiative properties of the low-lying NaRb states 142
A theoretical study of the phosphorescence lifetimes of H_2CO, CH_3CHO and (CH_3)_2CO 141
Multireference perturbation CI IV. Selection procedure for one-electron properties 141
FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions 141
A novel perturbation-based CAS-SCF algorithm: application to the direct calculation of localized orbitals 140
Charge-displacement analysis for excited states 139
On the relative merits of non-orthogonal and orthogonal Valence Bond methods illustrated on the hydrogen molecule 139
Multireference perturbation C.I. I. Extrapolation procedures with CAS or selected zero-order spaces 136
A preliminary ab initio investigation of the fate of the oxirane cation after vertical ionization of the oxirane molecule 136
Local orbitals for quasi-degenerate systems 136
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
Multireference perturbation C.I. III. Fast evaluation of the one-particle density matrix 134
Correlation energy, thermal energy and entropy effects in stabilizing different secondary structures of peptides 134
Multiple complete active space self-consistent field solutions 134
Ground state of the Mo2, W2 and MoCr molecules: a second and third order multireference perturbation theory study 133
Geometry optimization within a localized CAS-SCF approach 133
Adiabatic and Diabatic Basis Sets in molecular Calculations 133
Dynamical photoionization observables of the CS molecule: The role of electron correlation 131
Kmonodim: a Program for the Numerical Solution of the One-Dimensional Schroedinger Equation 131
Multireference perturbation theory can predict a false ground state 131
The use of local orbitals in multireference calculations 130
Ab initio study of the photodissociation of nitrosoalkanes and nitrosamines 129
Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program 129
The low-lying states of the scandium dimer 128
NEVPT2 perturbation theory: applications to valence and Rydberg excited states of formaldehyde. 128
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 122
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 116
Multipole expansions of the electrostatic molecular potential 115
Ab initio evaluation of absorption and emission transitions for molecular solutes, including separate consideration of orientational and inductive solvent effects 115
Introduction of n-electron valence states for multireference perturbation theory 110
Multireference perturbation configuration interaction. V. Third-order energy contributions in the Moller-Plesset and Epstein-Nesbet partitions. 110
Non adiabatic interactions in the symmetric ring opening process of dioxirane 110
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
Theoretical description of the conformation and the tautomerism of progabide 109
Merging multireference perturbation and density-functional theories by means of range separations: Potential curves for Be2, Mg2 and Ca2 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
X-ray absorption and resonant Auger spectroscopy of O2 in the vicinity of the O 1s → σ* resonance: Experiment and theory 105
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
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 102
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 99
Contracted and supercontracted basis sets in the theoretical treatment of coordination compounds: the cyclopentadienyl anion and ferrocene 99
null 98
An ab initio study of the lowest ^1,3\Sigma^+ states of BH. Quasi diabatic curves and vibronic couplings 98
Study of correlation holes. II. CI calculations on model polyatomic systems 97
Comments on the diabatic representation 97
On the A1Π-X1Σ+ transition in BH: Λ-doubling and vibrational structure Ab initio calculations 96
An ab initio study of the structure and electronic spectrum of 1,2-dithiete and 1,2-dithiin 96
Quantum wavepacket dynamics for the ^1\Sigma^+ states of Boron Hydride 94
Can hexazine (N_6) be stable? 93
Molecular calcium in interstellar space and circumstellar envelopes? A possible candidate: CaC_2 93
A conformational basis for the description of the thermal E/Z isomerization of aromatic azo and azomethine compounds 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 13.700
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Categoria #
all - tutte 85.497
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 1.084
Totale 86.581
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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
2025/20264.043 539 394 656 1.289 1.023 142 0 0 0 0 0 0
Totale 17.298