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Il lessico del colore tra Italia e Francia in età moderna
Julia Castiglione
,
Margherita Quaglino
,
Simona Rinaldi
,
Anna Sconza
Studi di Memofonte, 30, , 194 p., 2023
Special issue
hal-04176686v1
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Computation of Second Harmonic Generation for Crystalline Urea and KDP. An ab Initio Approach through the Coupled Perturbed Hartree-Fock/Kohn-Sham Scheme
Michel Rérat
,
L. Maschio
,
B. Kirtman
,
B. Civalleri
,
R. Dovesi
Journal articles
hal-01495775v1
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Characterization of the B-Center Defect in Diamond through the Vibrational Spectrum: A Quantum-Mechanical Approach
Simone Salustro
,
Anna Maria Ferrari
,
Francesco Silvio Gentile
,
Jacques Kontak Desmarais
,
Michel Rérat
,
et al.
Journal articles
hal-01692817v1
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Piezoelectricity of Functionalized Graphene: A Quantum-Mechanical Rationalization
K.E. El-Kelany
,
Philippe Carbonnière
,
A. Erba
,
Jean-Marc Sotiropoulos
,
Michel Rérat
Journal articles
hal-01495411v1
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Periodic ab initio estimates of the dispersive interaction between molecular nitrogen and a monolayer of hexagonal BN.
M. Halo
,
S. Casassa
,
L. Maschio
,
C. Pisani
,
Roberto Dovesi
,
et al.
Journal articles
hal-01536065v1
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Perturbation Theory Treatment of Spin–Orbit Coupling II: A Coupled Perturbed Kohn–Sham Method
Jacques Desmarais
,
Alessandro Erba
,
Jean-Pierre Flament
,
Bernard Kirtman
Journal articles
hal-03324105v1
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Pre-diagnostic blood immune markers, incidence and progression of B-cell lymphoma and multiple myeloma: Univariate and functionally informed multivariate analyses
R. Vermeulen
,
F. Saberi Hosnijeh
,
B. Bodinier
,
L. Portengen
,
Benoit Liquet
,
et al.
Journal articles
hal-02134607v1
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Spin–orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories
Jacques Desmarais
,
Stanislav Komorovsky
,
Jean-Pierre Flament
,
Alessandro Erba
Journal articles
hal-03265409v1
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Anharmonic Vibrational States of Solids from DFT Calculations. Part I: Description of the Potential Energy Surface
Alessandro Erba
,
Jefferson Maul
,
Matteo Ferrabone
,
Philippe Carbonnière
,
Michel Rérat
,
et al.
Journal articles
hal-02123168v1
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Calculation of anharmonic IR and Raman intensities for periodic systems from DFT Calculations. Implementation and Validation
Philippe Carbonnière
,
Alessandro Erba
,
Falk Richter
,
Roberto Dovesi
,
Michel Rérat
Journal articles
hal-02541536v1
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An all-electron study of the low-lying excited states and optical constants of Al2O3 in the range 5-80 eV
William Mackrodt
,
Michel Rérat
,
Francesco Silvio Gentile
,
Roberto Dovesi
Journal articles
hal-02310131v1
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Third order non-linear optical susceptibilities ( χ 3 ) of yttria stabilized cubic hafnium(IV) oxide
Hassan Denawi
,
Jacques Demarais
,
C.S. Praveen
,
Michel Rérat
,
Panaghiotis Karamanis
Journal articles
hal-03418749v1
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The role of spin density for understanding the superexchange mechanism in transition metal ionic compounds. The case of KMF 3 (M = Mn, Fe, Co, Ni, Cu) perovskites
Fabien Pascale
,
Klaus Doll
,
Alexander Platonenko
,
Michel Rérat
,
Roberto Dovesi
Journal articles
hal-03763000v1
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Adiabatic connection in spin-current density functional theory
Jacques Desmarais
,
Jean-Pierre Flament
,
Alessandro Erba
Journal articles
hal-03095209v1
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A multi-technique comparison of the electronic properties of pristine and nitrogen-doped polycrystalline SnO2
S. Livraghi
,
N. Barbero
,
S. Agnoli
,
C. Barolo
,
G. Granozzi
,
et al.
Journal articles
hal-03612961v1
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The VN3H defect in diamond: A quantum-mechanical characterization
F.S. Gentile
,
S. Salustro
,
M. Causà
,
A. Erba
,
Philippe Carbonnière
,
et al.
Journal articles
hal-01679468v1
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Calculation of the dielectric constant and first nonlinear susceptibility ?(2) of crystalline potassium dihydrogen phosphate by the coupled perturbed Hartree-Fock and coupled perturbed Kohn-Sham schemes as implemented in the CRYSTAL code
V. Lacivita
,
Michel Rérat
,
B. Kirtman
,
M. Ferrero
,
R. Orlando
,
et al.
Journal articles
hal-01617911v1
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Calculation of the dynamic first electronic hyperpolarizability β (- ω σ; ω 1, ω 2) of periodic systems. Theory, validation, and application to multi-layer MoS2
L. Maschio
,
Michel Rérat
,
B. Kirtman
,
Roberto Dovesi
Journal articles
hal-01546722v1
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La pratique des opinions dissidentes en Italie
Julien Giudicelli
,
Gustavio Zagrebelsky
2000
Translation
hal-01944235v1
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Electronic structure, dielectric properties and infrared vibrational spectrum of fayalite: An ab initio simulation with an all-electron Gaussian basis set and the B3LYP functional
Yves Noël
,
M. Delapierre
,
L. Maschio
,
Michel Rérat
,
C.M. Zicivichi-Wilson
,
et al.
Journal articles
hal-00687882v1
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Hydrogen atoms in the diamond vacancy defect. A quantum mechanical vibrational analysis
S. Salustro
,
F.S. Gentile
,
P. d'Arco
,
B. Civalleri
,
Michel Rérat
,
et al.
Journal articles
hal-01657510v1
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Ab initio calculation of nonlinear optical properties for chiral carbon nanotubes. Second harmonic generation and dc-Pockels effect
Michel Rérat
,
Panaghiotis Karamanis
,
B. Civalleri
,
L. Maschio
,
V. Lacivita
,
et al.
Journal articles
hal-01689447v1
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Longitudinal and transverse hyperpolarizabilities of carbon nanotubes: a computational investigation through the coupled-perturbed Hartree–Fock/Kohn–Sham scheme
Valentina Lacivita
,
Michel Rérat
,
Roberto Orlando
,
Roberto Dovesi
,
Philippe D’arco
Journal articles
hal-01292442v1
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Raman activity of the longitudinal optical phonons of the LiNbO 3 crystal: Experimental determination and quantum mechanical simulation
Bernardo A. Nogueira
,
Michel Rérat
,
Rui Fausto
,
Chiara Castiglioni
,
Roberto Dovesi
Journal articles
hal-03763009v1
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Phonon vibrational frequencies and elastic properties of solid SrFCl. An ab initio study
P. Labèguerie
,
Fabien Pascale
,
M. Mérawa
,
C. Zicovich-Wilson
,
N. Makhouki
,
et al.
Journal articles
istex
hal-01891686v1
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Infrared Spectra of Hydrogen-Bonded Ionic Crystals: Ab Initio Study of Mg(OH) 2 and β-Be(OH) 2
Piero Ugliengo
,
Fabien Pascale
,
Mohammadou Mérawa
,
Pierre Labèguerie
,
Sergio Tosoni
,
et al.
Journal articles
istex
hal-01891683v1
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Hybrid sulfurothioate-based electrolyte improving aesthetics, performance, and stability of transparent NIR-dye-sensitized solar cells
Waad Naim
,
Fionnuala Grifoni
,
Vijay Challuri
,
David Mathiron
,
Sylvain Ceurstemont
,
et al.
Journal articles
hal-04131365v1
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Effect of crystal packing on the static polarizability and first-hyperpolarizability of crystalline urea: an ab initio computational study
Bartolomeo Civalleri
,
Mauro Ferrero
,
Michel Rérat
,
Roberto Orlando
,
Roberto Dovesi
Journal articles
hal-01617910v1
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L’opinion dissidente en Italie
Julien Giudicelli
,
Gustavo Zagrebelsky
2000
Translation
hal-04072256v1
|
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Properties of Carbon Nanotubes: An ab Initio Study Using Large Gaussian Basis Sets and Various DFT Functionals
Raffaella Demichelis
,
Yves Noel
,
Philippe d'Arco
,
Michel Rérat
,
Claudio Zicovich-Wilson
,
et al.
Journal articles
hal-00650759v1
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