SFERA Archivio dei prodotti della Ricerca dell'Università di Ferrara

CIMIRAGLIA, Renzo
 Distribuzione geografica
Salva come PNG Salva come JPEG
Continente #
NA - Nord America 8.348
EU - Europa 1.956
AS - Asia 1.896
SA - Sud America 56
AF - Africa 5
OC - Oceania 1
Totale 12.262
Salva come PNG Salva come JPEG
Nazione #
US - Stati Uniti d'America 8.335
CN - Cina 881
UA - Ucraina 680
SG - Singapore 567
DE - Germania 511
TR - Turchia 382
GB - Regno Unito 285
FI - Finlandia 166
IT - Italia 111
SE - Svezia 107
BR - Brasile 52
FR - Francia 23
BE - Belgio 22
HK - Hong Kong 14
PL - Polonia 13
CA - Canada 12
IN - India 12
JP - Giappone 12
RU - Federazione Russa 10
IQ - Iraq 5
LT - Lituania 5
NL - Olanda 5
AT - Austria 4
EG - Egitto 4
ID - Indonesia 4
KR - Corea 4
UZ - Uzbekistan 3
VN - Vietnam 3
AR - Argentina 2
BG - Bulgaria 2
CH - Svizzera 2
CO - Colombia 2
CZ - Repubblica Ceca 2
HU - Ungheria 2
NO - Norvegia 2
TW - Taiwan 2
BD - Bangladesh 1
DK - Danimarca 1
IE - Irlanda 1
IL - Israele 1
IR - Iran 1
IS - Islanda 1
KZ - Kazakistan 1
MX - Messico 1
NZ - Nuova Zelanda 1
OM - Oman 1
PK - Pakistan 1
RO - Romania 1
SY - Repubblica araba siriana 1
ZA - Sudafrica 1
Totale 12.262
Salva come PNG Salva come JPEG
Città #
Woodbridge 1.192
Fairfield 921
Jacksonville 783
Houston 761
Chandler 681
Ann Arbor 528
Santa Clara 476
Seattle 346
Ashburn 343
Wilmington 324
Cambridge 293
Singapore 274
Izmir 248
Nanjing 210
Princeton 154
Boardman 143
San Diego 138
Beijing 95
Shenyang 72
Nanchang 62
Addison 50
Tianjin 49
Hebei 45
Changsha 40
New York 39
Jiaxing 38
Los Angeles 35
Shanghai 28
Redwood City 27
Jinan 24
Zhengzhou 24
Ferrara 23
London 23
Mountain View 23
Brussels 22
Kunming 20
Helsinki 19
Norwalk 19
Falkenstein 18
Falls Church 17
Indiana 16
Ningbo 16
Des Moines 14
Hong Kong 13
Milan 13
Orange 13
Auburn Hills 12
Guangzhou 12
Tappahannock 11
Warsaw 11
Munich 10
San Mateo 10
Changchun 9
Dearborn 7
Frankfurt am Main 7
Hangzhou 7
Philadelphia 7
Toronto 7
Andover 6
Nuremberg 6
Taizhou 6
Yellow Springs 6
Acton 5
Istanbul 5
Redmond 5
Turin 5
Walnut 5
Bremen 4
Jakarta 4
Lanzhou 4
Rio de Janeiro 4
San Francisco 4
São Paulo 4
Tokyo 4
Washington 4
Ahmedabad 3
Baghdad 3
Bend 3
Bologna 3
Buffalo 3
Chicago 3
Chiswick 3
Espoo 3
Hanover 3
Heidelberg 3
Kilburn 3
Ottawa 3
Pisa 3
Rio De Janeiro 3
Shenzhen 3
Southwark 3
Tashkent 3
Verona 3
Amsterdam 2
Ancona 2
Budapest 2
Camden 2
Cormeilles-en-Parisis 2
Corrientes 2
Edinburgh 2
Totale 8.971
Salva come PNG Salva come JPEG
Nome #
The vertical electronic spectrum of pyrrole: A second and third order n-electron valence state perturbation theory study 150
Molecular trapping of nuclei produced in neutrino capture reactions 147
A CASSCF theoretical study of the vibrational frequencies and structure of formaldehyde, acetaldehyde and acetone valence excited states 142
Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds? 142
Application of a “charge-averaged” second order Multireference Perturbation Theory strategy to the study of a model Mixed-Valence compound. 142
A multireference n-electron Valence State Perturbation Theory study of the electronic spectrum of s-tetrazine 142
An application of second and third-order n-electron valence state perturbation theory to the calculation of the vertical electronic spectrum of furan 139
Assessment of Multireference Perturbation Methods for Chemical Reaction Barrier Heights 137
A multireference perturbation theory study on the vertical electronic spectrum of thiophene 135
FRODO program for Mathematica 134
A Simple Approximate Perturbation Approach to Quasi-degenerate Systems 133
A quasidegenerate formulation of the second order n-electron valence state perturbation theory approach 129
Third-order multireference perturbation theory: the n-electron valence state perturbation theory approach 126
An ab initio multireference perturbation theory study on the manganese dimer. 125
The calculation of the correlation energy in ground and excited states: the n-electron valence state perturbation theory approach. 124
Photoionization of furan from the ground and excited electronic states 124
A priori complete active space self consistent field localized orbitals: an application on linear polyenes 124
Ab initio quasi-relativistic calculations on angular momentum and magnetic couplings of molecular electronic states. 123
Ab initio n-electron valence state perturbation theory study of the adiabatic transitions in carbonyl molecules: formaldehyde, acetaldehyde and acetone 122
A convenient decontraction procedure of internally contracted state-specific multireference algorithms 121
New perspectives in multireference perturbation theory: the n-electron valence state approach 120
A theoretical study of BeN linear chains: Variational and perturbative approaches 120
A comparison of various approaches in internally contracted multireference configuration interaction: the carbon dimer as a test case 119
A multireference perturbation theory study on the Fe2 molecule: in quest of the ground state 118
An application of second-order n-electron valence state perturbation theory to the calculation of excited states 116
FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions 116
N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant 115
Energy and radiative properties of the low-lying NaRb states 114
Calibration of the n-electron valence state perturbation theory approach 113
N-electron valence state perturbation theory: a spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants 111
On the relative merits of non-orthogonal and orthogonal Valence Bond methods illustrated on the hydrogen molecule 111
Multireference perturbation CI IV. Selection procedure for one-electron properties 109
Multireference perturbation C.I. I. Extrapolation procedures with CAS or selected zero-order spaces 108
The problem of interoperability: a common data format for Quantum Chemistry codes 108
Charge-displacement analysis for excited states 107
Correlation energy, thermal energy and entropy effects in stabilizing different secondary structures of peptides 106
DALTON Release 2 Program 106
Multiple complete active space self-consistent field solutions 106
Local orbitals for quasi-degenerate systems 106
Multireference perturbation C.I. III. Fast evaluation of the one-particle density matrix 105
Electronic structure investigation of the evanescent AtO+ ion. 104
FORTRAN interface for code interoperability in Quantum chemistry: The Q5cost library 103
The use of local orbitals in multireference calculations 102
Computer assisted generation of the matrix elements between contracted wavefunctions in a Complete Active Space scheme 102
DALTON2011 Program 101
Dynamical photoionization observables of the CS molecule: The role of electron correlation 101
On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes. 101
Diagrammatic formulation of the second-order many-body multipartitioning perturbation theory 100
Geometry optimization within a localized CAS-SCF approach 99
Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program 99
Multireference perturbation theory can predict a false ground state 99
null 98
Simplified treatment of organic substituents in SCF-CI calculations. The methyl group 98
The low-lying states of the scandium dimer 97
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model 96
Theoretical investigations on the solvation process - II. The monohydrated associates of some three-membered ring molecules 94
Non-orthogonal and orthogonal valence bond wavefunctions in the hydrogen molecule: the diabatic view 94
Developments in the n-electron valence state perturbation theory 93
Adiabatic and Diabatic Basis Sets in molecular Calculations 92
Multipole expansions of the electrostatic molecular potential 91
NEVPT2 perturbation theory: applications to valence and Rydberg excited states of formaldehyde. 90
Kmonodim: a Program for the Numerical Solution of the One-Dimensional Schroedinger Equation 87
null 85
Many-body multireference Moeller-Plesset and Epstein-Nesbet perturbation theory: fast evaluation of second-order energy contributions 84
A Theoretical study on the dissociation reaction of dioxirane: H2CO2 to H2 + CO2 84
The evaluation of non adiabatic matrix elements. A comparison of different approximations applied to LiH X-A ^1\Sigma^+ 82
Non adiabatic interactions in the symmetric ring opening process of dioxirane 82
Mechanism of thermal {Z/E} isomerization of aromatic azo compounds- Relation between rotation and inversion states. 82
A novel perturbation-based CAS-SCF algorithm: application to the direct calculation of localized orbitals 81
A theoretical study of the phosphorescence lifetimes of H_2CO, CH_3CHO and (CH_3)_2CO 81
Merging multireference perturbation and density-functional theories by means of range separations: Potential curves for Be2, Mg2 and Ca2 80
Ground state of the Mo2, W2 and MoCr molecules: a second and third order multireference perturbation theory study 79
Base‐induced reactions of isothiazolium salts with active 5‐methyl or 5‐methylene groups 79
null 79
A preliminary ab initio investigation of the fate of the oxirane cation after vertical ionization of the oxirane molecule 77
Ab initio study of the photodissociation of nitrosoalkanes and nitrosamines 77
Theoretical description of the conformation and the tautomerism of progabide 77
Multireference perturbation configuration interaction. V. Third-order energy contributions in the Moller-Plesset and Epstein-Nesbet partitions. 76
Study of homonuclear diatomic molecules containing multiple bonds using the NEV-PT perturbation theory. 76
Introduction of n-electron valence states for multireference perturbation theory 75
The origin of lambda doubling effect for the B1Pi and D1Pi states of NaK 75
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 75
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 75
Comments on the diabatic representation 73
Mechanism of thermal Z/E isomerization of substituted N-benzylidenanilines. Nature of the activated complex with an sp-hybridized nitrogen atom 73
Theoretical investigations on the solvation process. III. STO double-zeta SCF calculations on the hydrated proton H5O2+ 73
Alternative paths in the ring opening of oxadiaziridine: The diimide N-oxide versus the oxodiimide rearrangement - An ab initio study 72
X-ray absorption and resonant Auger spectroscopy of O2 in the vicinity of the O 1s -> sigma* resonance: Experiment and theory. 71
Contracted and supercontracted basis sets in the theoretical treatment of coordination compounds: the cyclopentadienyl anion and ferrocene 71
On the free energy changes of a solution in light absorption or emission processes 70
Ab initio evaluation of absorption and emission transitions for molecular solutes, including separate consideration of orientational and inductive solvent effects 70
An ab initio study of the structure and electronic spectrum of 1,2-dithiete and 1,2-dithiin. 69
Quantum wavepacket dynamics for the ^1\Sigma^+ states of Boron Hydride 68
Can hexazine (N_6) be stable? 68
Structure and tautomerism om maleic hydrazide 68
On the A1Π-X1Σ+ transition in BH: Λ-doubling and vibrational structure Ab initio calculations 67
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 67
Study of correlation holes. II. CI calculations on model polyatomic systems 66
Constant-atomic-final-state filtering of dissociative states in the O1s->sigma* core excitation in O_2 64
An ab initio study of the lowest ^1,3\Sigma^+ states of BH. Quasi diabatic curves and vibronic couplings 63
Totale 9.870
Salva come PNG Salva come JPEG
Categoria #
all - tutte 63.739
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 793
Totale 64.532
Salva come PNG Salva come JPEG


Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020540 0 0 0 0 0 0 0 0 145 250 106 39
2020/20211.434 146 99 108 180 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
2024/20251.364 79 144 210 34 303 229 12 188 165 0 0 0
Totale 12.377