SFERA Archivio dei prodotti della Ricerca dell'Università di Ferrara

CIMIRAGLIA, Renzo
 Distribuzione geografica
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Continente #
NA - Nord America 11.686
AS - Asia 5.952
EU - Europa 2.760
SA - Sud America 925
Continente sconosciuto - Info sul continente non disponibili 116
AF - Africa 108
OC - Oceania 4
Totale 21.551
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Nazione #
US - Stati Uniti d'America 11.415
SG - Singapore 2.108
CN - Cina 1.655
UA - Ucraina 706
BR - Brasile 703
DE - Germania 626
VN - Vietnam 601
HK - Hong Kong 522
TR - Turchia 432
GB - Regno Unito 357
IT - Italia 200
FI - Finlandia 190
FR - Francia 188
JP - Giappone 169
RU - Federazione Russa 164
SE - Svezia 137
MX - Messico 126
IN - India 109
CA - Canada 102
AR - Argentina 88
BD - Bangladesh 65
IQ - Iraq 57
PL - Polonia 51
ID - Indonesia 45
CO - Colombia 34
ZA - Sudafrica 32
ES - Italia 29
PK - Pakistan 27
VE - Venezuela 26
EC - Ecuador 24
BE - Belgio 22
NL - Olanda 22
MY - Malesia 21
SA - Arabia Saudita 19
PH - Filippine 18
CL - Cile 16
JM - Giamaica 15
EG - Egitto 14
UZ - Uzbekistan 14
MA - Marocco 12
PY - Paraguay 12
TN - Tunisia 12
AE - Emirati Arabi Uniti 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
TT - Trinidad e Tobago 7
TW - Taiwan 7
AT - Austria 6
JO - Giordania 6
KR - Corea 6
CR - Costa Rica 5
DZ - Algeria 5
HN - Honduras 5
OM - Oman 5
RO - Romania 5
BG - Bulgaria 4
BO - Bolivia 4
GT - Guatemala 4
NO - Norvegia 4
NP - Nepal 4
PS - Palestinian Territory 4
PT - Portogallo 4
QA - Qatar 4
CZ - Repubblica Ceca 3
DO - Repubblica Dominicana 3
ET - Etiopia 3
GA - Gabon 3
HR - Croazia 3
KG - Kirghizistan 3
LY - Libia 3
RS - Serbia 3
SN - Senegal 3
SY - Repubblica araba siriana 3
AL - Albania 2
AU - Australia 2
BH - Bahrain 2
CG - Congo 2
CI - Costa d'Avorio 2
DK - Danimarca 2
GE - Georgia 2
GR - Grecia 2
IR - Iran 2
KW - Kuwait 2
NG - Nigeria 2
AZ - Azerbaigian 1
BJ - Benin 1
BW - Botswana 1
CY - Cipro 1
IE - Irlanda 1
IS - Islanda 1
LB - Libano 1
LV - Lettonia 1
MD - Moldavia 1
Totale 21.418
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Città #
Singapore 1.408
Woodbridge 1.192
Fairfield 921
Ashburn 825
Jacksonville 787
Houston 775
Chandler 681
San Jose 670
Santa Clara 569
Ann Arbor 528
Hong Kong 514
Beijing 452
Seattle 357
Wilmington 327
Council Bluffs 308
Cambridge 294
Izmir 248
Nanjing 210
Ho Chi Minh City 196
Tokyo 158
Princeton 154
Boardman 143
Hanoi 142
San Diego 140
Lauterbourg 123
New York 115
Los Angeles 113
Dallas 105
Mexico City 84
Shenyang 72
Munich 71
São Paulo 69
Nanchang 63
Tianjin 59
Moscow 53
Addison 50
Hebei 45
Warsaw 43
Changsha 42
Chicago 40
London 40
Orem 39
Jiaxing 38
The Dalles 37
Atlanta 34
Da Nang 34
Toronto 33
Shanghai 32
Denver 31
Chennai 30
Milan 30
Helsinki 29
Brooklyn 28
Ferrara 27
Hefei 27
Redwood City 27
Zhengzhou 27
Haiphong 26
Rio de Janeiro 26
Jinan 25
Mountain View 23
Brussels 22
Montreal 22
Stockholm 22
Baghdad 21
Kunming 21
Falkenstein 20
San Francisco 20
Brasília 19
Norwalk 19
Frankfurt am Main 18
Ankara 17
Biên Hòa 17
Falls Church 17
Guangzhou 17
Indiana 16
Johannesburg 16
Ningbo 16
Des Moines 15
Phoenix 15
Turku 14
Boston 13
Buenos Aires 13
Columbus 13
Medellín 13
Nuremberg 13
Orange 13
Auburn Hills 12
Manchester 12
Mumbai 12
Philadelphia 12
Tashkent 12
Belo Horizonte 11
Buffalo 11
Curitiba 11
Guayaquil 11
Hangzhou 11
Istanbul 11
Querétaro 11
Tappahannock 11
Totale 14.379
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Nome #
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 256
A multireference perturbation theory study on the vertical electronic spectrum of thiophene 252
Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds? 251
A multireference n-electron Valence State Perturbation Theory study of the electronic spectrum of s-tetrazine 248
DALTON Release 2 Program 248
A Simple Approximate Perturbation Approach to Quasi-degenerate Systems 244
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 239
The vertical electronic spectrum of pyrrole: A second and third order n-electron valence state perturbation theory study 238
A theoretical study of BeN linear chains: Variational and perturbative approaches 231
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 multireference perturbation theory study on the Fe2 molecule: in quest of the ground state 219
Ab initio quasirelativistic calculations on angular momentum and magnetic couplings of molecular electronic states 218
New perspectives in multireference perturbation theory: the n-electron valence state approach 213
DALTON2011 Program 208
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
Developments in the n-electron valence state perturbation theory 196
Molecular trapping of nuclei produced in neutrino capture reactions 189
An application of second-order n-electron valence state perturbation theory to the calculation of excited states 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
Energy and radiative properties of the low-lying NaRb states 182
A Theoretical study on the dissociation reaction of dioxirane: H2CO2 to H2 + CO2 182
N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant 181
Ab initio study of the photodissociation of nitrosoalkanes and nitrosamines 181
FORTRAN interface for code interoperability in Quantum chemistry: The Q5cost library 181
The calculation of the correlation energy in ground and excited states: the n-electron valence state perturbation theory approach. 180
A novel perturbation-based CAS-SCF algorithm: application to the direct calculation of localized orbitals 179
Charge-displacement analysis for excited states 178
Multiple complete active space self-consistent field solutions 177
A theoretical study of the phosphorescence lifetimes of H_2CO, CH_3CHO and (CH_3)_2CO 175
Ground state of the Mo2, W2 and MoCr molecules: a second and third order multireference perturbation theory study 173
FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions 173
Calibration of the n-electron valence state perturbation theory approach 173
Multireference perturbation C.I. III. Fast evaluation of the one-particle density matrix 171
NEVPT2 perturbation theory: applications to valence and Rydberg excited states of formaldehyde. 170
Kmonodim: a Program for the Numerical Solution of the One-Dimensional Schroedinger Equation 170
On the relative merits of non-orthogonal and orthogonal Valence Bond methods illustrated on the hydrogen molecule 168
A preliminary ab initio investigation of the fate of the oxirane cation after vertical ionization of the oxirane molecule 167
Multireference perturbation C.I. I. Extrapolation procedures with CAS or selected zero-order spaces 165
Geometry optimization within a localized CAS-SCF approach 163
N-electron valence state perturbation theory: a spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants 161
The use of local orbitals in multireference calculations 160
The low-lying states of the scandium dimer 158
Dynamical photoionization observables of the CS molecule: The role of electron correlation 158
Adiabatic and Diabatic Basis Sets in molecular Calculations 158
Diagrammatic formulation of the second-order many-body multipartitioning perturbation theory 157
Multireference perturbation CI IV. Selection procedure for one-electron properties 157
Correlation energy, thermal energy and entropy effects in stabilizing different secondary structures of peptides 156
Local orbitals for quasi-degenerate systems 155
Multireference perturbation theory can predict a false ground state 152
Simplified treatment of organic substituents in SCF-CI calculations. The methyl group 152
Introduction of n-electron valence states for multireference perturbation theory 151
Many-body multireference Moeller-Plesset and Epstein-Nesbet perturbation theory: fast evaluation of second-order energy contributions 148
Theoretical investigations on the solvation process - II. The monohydrated associates of some three-membered ring molecules 148
On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes 148
Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program 148
Mechanism of thermal Z/E isomerization of aromatic azo compounds. Relation between rotation and inversion states 147
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model 147
Electronic structure investigation of the evanescent AtO+ ion. 146
Theoretical description of the conformation and the tautomerism of progabide 146
Computer assisted generation of the matrix elements between contracted wavefunctions in a Complete Active Space scheme 145
Ab initio evaluation of absorption and emission transitions for molecular solutes, including separate consideration of orientational and inductive solvent effects 145
Non-orthogonal and orthogonal valence bond wavefunctions in the hydrogen molecule: the diabatic view 144
X-ray absorption and resonant Auger spectroscopy of O2 in the vicinity of the O 1s → σ* resonance: Experiment and theory 142
Multipole expansions of the electrostatic molecular potential 140
Structure and tautomerism om maleic hydrazide 140
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 138
Multireference perturbation configuration interaction. V. Third-order energy contributions in the Moller-Plesset and Epstein-Nesbet partitions. 136
The evaluation of non adiabatic matrix elements. A comparison of different approximations applied to LiH X-A ^1\Sigma^+ 134
Non adiabatic interactions in the symmetric ring opening process of dioxirane 133
Base‐induced reactions of isothiazolium salts with active 5‐methyl or 5‐methylene groups 131
A conformational basis for the description of the thermal E/Z isomerization of aromatic azo and azomethine compounds 131
The origin of lambda doubling effect for the B1Pi and D1Pi states of NaK 130
Merging multireference perturbation and density-functional theories by means of range separations: Potential curves for Be2, Mg2 and Ca2 130
Mechanism of thermal Z/E isomerization of substituted N-benzylidenanilines. Nature of the activated complex with an sp-hybridized nitrogen atom 127
Contracted and supercontracted basis sets in the theoretical treatment of coordination compounds: the cyclopentadienyl anion and ferrocene 127
Alternative paths in the ring opening of oxadiaziridine: The diimide N-oxide versus the oxodiimide rearrangement - An ab initio study 126
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 126
On the A1Π-X1Σ+ transition in BH: Λ-doubling and vibrational structure Ab initio calculations 125
Study of homonuclear diatomic molecules containing multiple bonds using the NEV-PT perturbation theory. 125
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 124
Theoretical investigations on the solvation process. III. STO double-zeta SCF calculations on the hydrated proton H5O2+ 124
Comments on the diabatic representation 122
An ab initio study of the structure and electronic spectrum of 1,2-dithiete and 1,2-dithiin 121
Study of correlation holes. II. CI calculations on model polyatomic systems 120
Quantum wavepacket dynamics for the ^1\Sigma^+ states of Boron Hydride 117
An ab initio study of the lowest ^1,3\Sigma^+ states of BH. Quasi diabatic curves and vibronic couplings 117
Can hexazine (N_6) be stable? 115
On the free energy changes of a solution in light absorption or emission processes 114
Molecular calcium in interstellar space and circumstellar envelopes? A possible candidate: CaC_2 114
On the direct calculation of the time evolution of excited molecular states in the presence of non adiabatic interactions 114
The mechanism of carbonyl reduction by LiBH_4 : an ab initio investigation with inclusion of solvent effects 113
Totale 16.950
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Categoria #
all - tutte 103.232
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 1.286
Totale 104.518
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2021/20221.238 0 0 125 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
2025/20267.286 539 394 656 1.289 1.023 433 591 383 849 852 178 99
2026/20271.010 254 370 386 0 0 0 0 0 0 0 0 0
Totale 21.551