SFERA Archivio dei prodotti della Ricerca dell'Università di Ferrara

CIMIRAGLIA, Renzo
 Distribuzione geografica
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Continente #
NA - Nord America 9.449
AS - Asia 3.891
EU - Europa 2.426
SA - Sud America 694
AF - Africa 47
OC - Oceania 2
Totale 16.509
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Nazione #
US - Stati Uniti d'America 9.278
CN - Cina 1.336
SG - Singapore 1.307
UA - Ucraina 703
DE - Germania 609
BR - Brasile 595
HK - Hong Kong 448
TR - Turchia 400
GB - Regno Unito 335
VN - Vietnam 183
FI - Finlandia 180
IT - Italia 153
RU - Federazione Russa 138
SE - Svezia 126
MX - Messico 103
CA - Canada 55
IN - India 54
AR - Argentina 47
PL - Polonia 44
FR - Francia 43
JP - Giappone 38
ID - Indonesia 33
BE - Belgio 22
ZA - Sudafrica 21
BD - Bangladesh 17
IQ - Iraq 17
ES - Italia 16
EC - Ecuador 14
NL - Olanda 12
CO - Colombia 10
UZ - Uzbekistan 9
EG - Egitto 8
VE - Venezuela 8
AE - Emirati Arabi Uniti 7
LT - Lituania 7
PY - Paraguay 7
AT - Austria 6
CH - Svizzera 5
HU - Ungheria 5
IL - Israele 5
TN - Tunisia 5
BG - Bulgaria 4
CL - Cile 4
JM - Giamaica 4
KR - Corea 4
KZ - Kazakistan 4
PE - Perù 4
TW - Taiwan 4
UY - Uruguay 4
CZ - Repubblica Ceca 3
KE - Kenya 3
OM - Oman 3
PK - Pakistan 3
PT - Portogallo 3
SA - Arabia Saudita 3
TH - Thailandia 3
TT - Trinidad e Tobago 3
CR - Costa Rica 2
DK - Danimarca 2
GA - Gabon 2
HN - Honduras 2
NO - Norvegia 2
PS - Palestinian Territory 2
RO - Romania 2
RS - Serbia 2
AU - Australia 1
BO - Bolivia 1
BW - Botswana 1
CI - Costa d'Avorio 1
DO - Repubblica Dominicana 1
DZ - Algeria 1
ET - Etiopia 1
GR - Grecia 1
IE - Irlanda 1
IR - Iran 1
IS - Islanda 1
JO - Giordania 1
KG - Kirghizistan 1
KW - Kuwait 1
LB - Libano 1
LV - Lettonia 1
MA - Marocco 1
MN - Mongolia 1
MY - Malesia 1
MZ - Mozambico 1
NA - Namibia 1
NG - Nigeria 1
NZ - Nuova Zelanda 1
PA - Panama 1
QA - Qatar 1
SY - Repubblica araba siriana 1
TL - Timor Orientale 1
YE - Yemen 1
Totale 16.509
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Città #
Woodbridge 1.192
Fairfield 921
Jacksonville 783
Houston 767
Singapore 718
Chandler 681
Ann Arbor 528
Santa Clara 506
Ashburn 497
Hong Kong 446
Beijing 371
Seattle 351
Wilmington 326
Cambridge 293
Izmir 248
Nanjing 210
Princeton 154
Boardman 143
San Diego 138
Dallas 92
New York 87
Los Angeles 84
Mexico City 76
Shenyang 72
Munich 71
Ho Chi Minh City 62
Nanchang 62
São Paulo 62
Tianjin 55
Addison 50
Hebei 45
Changsha 42
Jiaxing 38
Warsaw 38
Hanoi 37
Moscow 34
Chicago 33
London 32
Shanghai 29
Tokyo 29
Redwood City 27
Ferrara 26
Hefei 26
Zhengzhou 25
Jinan 24
Milan 24
Brooklyn 23
Mountain View 23
Brussels 22
Rio de Janeiro 22
Denver 21
Kunming 21
Falkenstein 20
Chennai 19
Helsinki 19
Norwalk 19
Atlanta 18
Stockholm 18
Falls Church 17
Guangzhou 17
Indiana 16
Ningbo 16
Brasília 15
Montreal 15
Toronto 15
Des Moines 14
Frankfurt am Main 14
Turku 14
Ankara 13
Orange 13
San Francisco 13
Auburn Hills 12
Orem 12
Boston 11
Columbus 11
Tappahannock 11
The Dalles 11
Belo Horizonte 10
Changchun 10
Johannesburg 10
San Mateo 10
Biên Hòa 9
Buenos Aires 9
Campinas 9
Curitiba 9
Hangzhou 9
Jakarta 9
Tashkent 9
Guarulhos 8
Mumbai 8
Philadelphia 8
Poplar 8
Salt Lake City 8
Bologna 7
Dearborn 7
Istanbul 7
Nuremberg 7
Querétaro 7
Andover 6
Goiânia 6
Totale 11.250
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Nome #
FRODO program for Mathematica 204
An application of second and third-order n-electron valence state perturbation theory to the calculation of the vertical electronic spectrum of furan 201
A CASSCF theoretical study of the vibrational frequencies and structure of formaldehyde, acetaldehyde and acetone valence excited states 199
Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds? 196
Application of a “charge-averaged” second order Multireference Perturbation Theory strategy to the study of a model Mixed-Valence compound. 192
A multireference perturbation theory study on the vertical electronic spectrum of thiophene 190
A multireference n-electron Valence State Perturbation Theory study of the electronic spectrum of s-tetrazine 190
The vertical electronic spectrum of pyrrole: A second and third order n-electron valence state perturbation theory study 187
A Simple Approximate Perturbation Approach to Quasi-degenerate Systems 185
A quasidegenerate formulation of the second order n-electron valence state perturbation theory approach 181
A convenient decontraction procedure of internally contracted state-specific multireference algorithms 179
DALTON Release 2 Program 174
A comparison of various approaches in internally contracted multireference configuration interaction: the carbon dimer as a test case 172
Molecular trapping of nuclei produced in neutrino capture reactions 171
An ab initio multireference perturbation theory study on the manganese dimer 171
A theoretical study of BeN linear chains: Variational and perturbative approaches 168
Assessment of Multireference Perturbation Methods for Chemical Reaction Barrier Heights 165
A priori complete active space self consistent field localized orbitals: an application on linear polyenes 162
Ab initio quasirelativistic calculations on angular momentum and magnetic couplings of molecular electronic states 160
New perspectives in multireference perturbation theory: the n-electron valence state approach 157
Third-order multireference perturbation theory: the n-electron valence state perturbation theory approach 156
A multireference perturbation theory study on the Fe2 molecule: in quest of the ground state 156
DALTON2011 Program 152
The calculation of the correlation energy in ground and excited states: the n-electron valence state perturbation theory approach. 152
Photoionization of furan from the ground and excited electronic states 152
Ab initio n-electron valence state perturbation theory study of the adiabatic transitions in carbonyl molecules: formaldehyde, acetaldehyde and acetone 151
An application of second-order n-electron valence state perturbation theory to the calculation of excited states 146
N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant 145
The problem of interoperability: a common data format for Quantum Chemistry codes 145
Multireference perturbation CI IV. Selection procedure for one-electron properties 140
A Theoretical study on the dissociation reaction of dioxirane: H2CO2 to H2 + CO2 139
Calibration of the n-electron valence state perturbation theory approach 139
Energy and radiative properties of the low-lying NaRb states 138
FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions 138
Charge-displacement analysis for excited states 137
On the relative merits of non-orthogonal and orthogonal Valence Bond methods illustrated on the hydrogen molecule 136
FORTRAN interface for code interoperability in Quantum chemistry: The Q5cost library 135
Developments in the n-electron valence state perturbation theory 134
N-electron valence state perturbation theory: a spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants 133
Multireference perturbation C.I. I. Extrapolation procedures with CAS or selected zero-order spaces 133
Correlation energy, thermal energy and entropy effects in stabilizing different secondary structures of peptides 133
Multiple complete active space self-consistent field solutions 133
Local orbitals for quasi-degenerate systems 133
Diagrammatic formulation of the second-order many-body multipartitioning perturbation theory 132
Multireference perturbation C.I. III. Fast evaluation of the one-particle density matrix 131
A theoretical study of the phosphorescence lifetimes of H_2CO, CH_3CHO and (CH_3)_2CO 131
Multireference perturbation theory can predict a false ground state 130
Adiabatic and Diabatic Basis Sets in molecular Calculations 130
The use of local orbitals in multireference calculations 129
A preliminary ab initio investigation of the fate of the oxirane cation after vertical ionization of the oxirane molecule 128
Geometry optimization within a localized CAS-SCF approach 127
Dynamical photoionization observables of the CS molecule: The role of electron correlation 127
Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program 127
The low-lying states of the scandium dimer 126
Electronic structure investigation of the evanescent AtO+ ion. 124
On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes 123
A novel perturbation-based CAS-SCF algorithm: application to the direct calculation of localized orbitals 122
Computer assisted generation of the matrix elements between contracted wavefunctions in a Complete Active Space scheme 122
Kmonodim: a Program for the Numerical Solution of the One-Dimensional Schroedinger Equation 122
Ground state of the Mo2, W2 and MoCr molecules: a second and third order multireference perturbation theory study 120
NEVPT2 perturbation theory: applications to valence and Rydberg excited states of formaldehyde. 120
Simplified treatment of organic substituents in SCF-CI calculations. The methyl group 120
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model 120
Non-orthogonal and orthogonal valence bond wavefunctions in the hydrogen molecule: the diabatic view 118
Theoretical investigations on the solvation process - II. The monohydrated associates of some three-membered ring molecules 117
Many-body multireference Moeller-Plesset and Epstein-Nesbet perturbation theory: fast evaluation of second-order energy contributions 116
Ab initio study of the photodissociation of nitrosoalkanes and nitrosamines 116
Mechanism of thermal Z/E isomerization of aromatic azo compounds. Relation between rotation and inversion states 113
Multipole expansions of the electrostatic molecular potential 112
Introduction of n-electron valence states for multireference perturbation theory 108
Multireference perturbation configuration interaction. V. Third-order energy contributions in the Moller-Plesset and Epstein-Nesbet partitions. 108
Non adiabatic interactions in the symmetric ring opening process of dioxirane 108
Merging multireference perturbation and density-functional theories by means of range separations: Potential curves for Be2, Mg2 and Ca2 107
The evaluation of non adiabatic matrix elements. A comparison of different approximations applied to LiH X-A ^1\Sigma^+ 107
Base‐induced reactions of isothiazolium salts with active 5‐methyl or 5‐methylene groups 106
Theoretical description of the conformation and the tautomerism of progabide 106
Ab initio evaluation of absorption and emission transitions for molecular solutes, including separate consideration of orientational and inductive solvent effects 106
Study of homonuclear diatomic molecules containing multiple bonds using the NEV-PT perturbation theory. 104
The origin of lambda doubling effect for the B1Pi and D1Pi states of NaK 103
Theoretical investigations on the solvation process. III. STO double-zeta SCF calculations on the hydrated proton H5O2+ 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 99
Mechanism of thermal Z/E isomerization of substituted N-benzylidenanilines. Nature of the activated complex with an sp-hybridized nitrogen atom 99
Structure and tautomerism om maleic hydrazide 99
null 98
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 98
Alternative paths in the ring opening of oxadiaziridine: The diimide N-oxide versus the oxodiimide rearrangement - An ab initio study 97
X-ray absorption and resonant Auger spectroscopy of O2 in the vicinity of the O 1s → σ* resonance: Experiment and theory 97
Contracted and supercontracted basis sets in the theoretical treatment of coordination compounds: the cyclopentadienyl anion and ferrocene 97
Comments on the diabatic representation 96
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 95
Study of correlation holes. II. CI calculations on model polyatomic systems 95
An ab initio study of the structure and electronic spectrum of 1,2-dithiete and 1,2-dithiin 95
An ab initio study of the lowest ^1,3\Sigma^+ states of BH. Quasi diabatic curves and vibronic couplings 95
On the A1Π-X1Σ+ transition in BH: Λ-doubling and vibrational structure Ab initio calculations 94
Quantum wavepacket dynamics for the ^1\Sigma^+ states of Boron Hydride 92
Can hexazine (N_6) be stable? 91
On the free energy changes of a solution in light absorption or emission processes 90
On the direct calculation of the time evolution of excited molecular states in the presence of non adiabatic interactions 87
Proton and Lithium cation interactions with hydrogen sulfide and hydrogen persulfide 87
Molecular calcium in interstellar space and circumstellar envelopes? A possible candidate: CaC_2 85
Totale 13.114
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Categoria #
all - tutte 83.283
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 1.059
Totale 84.342
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021901 0 0 0 0 44 187 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
2025/20263.369 539 394 656 1.289 491 0 0 0 0 0 0 0
Totale 16.624