EDUARDO FABIANO
- Type
- Persona (Classe)
- Label
- EDUARDO FABIANO (literal)
- EDUARDO FABIANO (literal)
- Persona in rapporto
- Employment relationship with CNR of DOTT. EDUARDO FABIANO (Rapporto con CNR)
- Autore CNR di
- Optimized effective potential method based on spin-resolved components of the second-order correlation energy in density functional theory (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Accurate ionization potential of gold anionic clusters from density functional theory and many-body perturbation theory (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Generalized gradient approximation correlation energy functionals based on the uniform electron gas with gap model (Articolo in rivista) (Prodotto della ricerca)
- Spin-dependent gradient correction for more accurate atomization energies of molecules (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- A periodic charge-dipole electrostatic model: Parametrization for silver slabs (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Nonuniform scaling applied to surface energies of transition metals (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- On the accuracy of frozen density embedding calculations with hybrid and orbital-dependent functionals for non-bonded interaction energies (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Improving atomization energies of molecules and solids with a spin-dependent gradient correction from one-electron density analysis (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Frozen density embedding with hybrid functionals (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Two-dimensional scan of the performance of generalized gradient approximations with Perdew-Burke-Ernzerhof-like enhancement factor (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Live-cell-permeant thiophene fluorophores and cell-mediated formation of fluorescent fibrils (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Relevance of coordinate and particle-number scaling in density-functional theory (Articolo in rivista) (Prodotto della ricerca)
- QM/MM nonadiabatic decay dynamics of 9H-adenine in aqueous solution (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Generalized gradient approximation bridging the rapidly and slowly varying density regimes: A PBE-like functional for hybrid interfaces (Articolo in rivista) (Prodotto della ricerca)
- Meta-GGA Exchange-Correlation Functional with a Balanced Treatment of Nonlocality (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Semilocal and hybrid density embedding calculations of ground-state charge-transfer complexes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Introduction to Computational Molecular Photophysics (Contributo in volume (capitolo o saggio)) (Prodotto della ricerca)
- Optical properties of N-succinimidyl-bithiophene and the effects of the binding to biomolecules: comparison between coupled-cluster and time-dependent density-functional theory calculations and experiment (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Theoretical study on N-Sucinimidyl oligothiophenes: A novel class of materials for biological applications (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Self-assembled Monolayers of Cobalt(II)-(4-tert-Butylphenyl)-Porphyrins: The Influence of the Electronic Dipole on Scanning Tunnelling Microscopy Images (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Photoinduced Nonadiabatic Dynamics of 9H-Guanine (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Wave Function and Density Functional Theory Studies of Dihydrogen Complexes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Orbital-dependent second-order scaled-opposite-spin correlation functionals in the optimized effective potential method (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Ab-initio study of singlet and triplet excitation energies in oligothiophenes (Articolo in rivista) (Prodotto della ricerca)
- Frozen Density Embedding Calculations with the Orbital-Dependent Localized Hartree-Fock Kohn-Sham Potential (Articolo in rivista) (Prodotto della ricerca)
- Interfacial Electronic Structure of the Dipolar Vanadyl Naphthalocyanine on Au (111): \"Push-back\" vs Dipolar Effects (Articolo in rivista) (Prodotto della ricerca)
- Correlation energy functional from jellium surface analysis (Articolo in rivista) (Prodotto della ricerca)
- Polymorphism in Crystalline Microfibers of Achiral Octithiophene: The Effect on Charge Transport, Supramolecular Chirality and Optical Properties (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- The Role of Exact-Exchange in the Theoretical Description of Organic-Metal Interfaces (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Frozen density embedding with non-integer subsystems' particle numbers (Articolo in rivista) (Prodotto della ricerca)
- A density difference based analysis of orbital-dependent exchange-correlation functionals (Articolo in rivista) (Prodotto della ricerca)
- Localized exchange-correlation potential from second-order self-energy for accurate Kohn-Sham energy gap (Articolo in rivista) (Prodotto della ricerca)
- Laplacian-Level Kinetic Energy Approximations Based on the Fourth-Order Gradient Expansion: Global Assessment and Application to the Subsystem Formulation of Density Functional Theory (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Torsional potential of pi-conjugated molecules using the localized Hartree-Fock Kohn-Sham exchange potential (Articolo in rivista) (Prodotto della ricerca)
- Bright oligothiophene N-succinimidyl esters for efficient labeling of proteins and oligonucleotides (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Nonradiative relaxation in thiophene-S,S-dioxide derivatives: the role of the environment (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Theoretical study of singlet and triplet excitation energies in oligothiophenes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Global Hybrids from the Semiclassical Atom Theory Satisfying the Local Density Linear Response (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Nonradiative deexcitation dynamics of 9H-adenine: an OM2 surface hopping study (Articolo in rivista) (Prodotto della ricerca)
- Photoinduced nonadiabatic dynamics of pyrimidine nucleobases: On-the-fly surface-hopping study with semiempirical methods (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Approximate switching algorithms for trajectory surface hopping (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Testing the broad applicability of the PBEint GGA functional and its one-parameter hybrid form (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Implementation of surface hopping molecular dynamics using semiempirical methods (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Accuracy of basis-set extrapolation schemes for DFT-RPA correlation energies in molecular calculations (Articolo in rivista) (Prodotto della ricerca)
- Semilocal dynamical correlation with increased localization (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Theoretical investigation of molecular excited states of polar organic monolayers via an efficient embedding approach (Articolo in rivista) (Prodotto della ricerca)
- Generalized Gradient Approximations of the Noninteracting Kinetic Energy from the Semiclassical Atom Theory: Rationalization of the Accuracy of the Frozen Density Embedding Theory for Nonbonded Interactions (Articolo in rivista) (Prodotto della ricerca)
- A simple non-empirical procedure for spin-component-scaled MP2 methods applied to the calculation of the dissociation energy curve of noncovalently-interacting systems (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Exchange-correlation generalized gradient approximation for gold nanostructures (Articolo in rivista) (Prodotto della ricerca)
- Nonadiabatic trajectory calculations with ab initio and semiempirical methods (Contributo in volume (capitolo o saggio)) (Prodotto della ricerca)
- Monodispersed molecular donors for bulk hetero-junktion solar cells: from molecular properties to device performaces (Articolo in rivista) (Prodotto della ricerca)
- Accurate Singlet and Triplet Excitation Energies using the Localized Hartree-Fock Kohn-Sham potential (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Torsional effects on excitation energies of thiophene derivatives induced by beta-substituents: comparison between time-dependent density functional theory and approximated coupled cluster approaches (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Fluorine-Thiophene-Substituted Organic Dyes For Dye Sensitized Solar Cells (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Construction of a general semilocal exchange-correlation hole model: Application to nonempirical meta-GGA functionals (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Nonuniform Scaling Applied to Surface Energies of Transition Metals (Articolo in rivista) (Prodotto della ricerca)
- Semiclassical Neutral Atom as a Reference System in Density Functional Theory (Articolo in rivista) (Prodotto della ricerca)
- New organic dyes based on a dibenzofulvene bridge for highly efficient dye-sensitized solar cells (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Kohn-Sham kinetic energy density in the nuclear and asymptotic regions: Deviations from the von Weizsäcker behavior and applications to density functionals (Articolo in rivista) (Prodotto della ricerca)
- Gradient-dependent upper bound for the exchange-correlation energy and application to density functional theory (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- \"Darker-than-Black\" PbS Quantum Dots: Enhancing Optical Absorption of Colloidal Semiconductor Nanocrystals via Short Conjugated Ligands. (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- First disubstituted dibenzothiophene-5,5-dioxide monodispersed molecular materials for efficient blue-electroluminescence. (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Coautore
- VALENTINA ARIMA (Persona)
- FRANCESCA DI MARIA (Persona)
- ROSARIA RINALDI (Persona)
- DENIS GENTILI (Unità di personale interno)
- Ilaria Elena Palamà (Unità di personale esterno)
- ROBERTO CINGOLANI (Unità di personale esterno)
- PAOLA FINI (Unità di personale interno)
- MARIANO BIASIUCCI (Unità di personale esterno)
- PAOLO EMILIO TREVISANUTTO (Unità di personale interno)
- SAVIO LARICCHIA (Persona)
- Marco Mazzeo (Persona)
- Giuseppe Ciccarella (Persona)
- LAURA FAVARETTO (Persona)
- Igor Bodrenko (Unità di personale esterno)
- Angela Scrascia (Unità di personale esterno)
- MASSIMO ZAMBIANCHI (Unità di personale interno)
- MASSIMILIANO CAVALLINI (Unità di personale interno)
- ALEKSANDR VIKTOROVICH TERENTJEV (Unità di personale esterno)
- CRISTIAN BETTINI (Unità di personale esterno)
- GIUSEPPE GIGLI (Unità di personale esterno)
- GIOVANNA SOTGIU (Unità di personale interno)
- GIUSEPPE GIGLI (Unità di personale esterno)
- GIOVANNA BARBARELLA (Unità di personale interno)
- stefania D'Agostino (Unità di personale esterno)
- PINALYSA COSMA (Unità di personale esterno)
- Claudia CARLUCCI (Persona)
- ILENIA VIOLA (Persona)
- AGOSTINA LINA CAPODILUPO (Unità di personale interno)
- FABIO DELLA SALA (Persona)
- ROBERTO CINGOLANI (Persona)
- Nome
- EDUARDO (literal)
- Cognome
- FABIANO (literal)
- Afferisce a
- Istituto Nanoscienze (NANO) (Istituto)
Incoming links:
- Ha afferente
- Istituto Nanoscienze (NANO) (Istituto)
- Coautore
- MASSIMILIANO CAVALLINI (Unità di personale interno)
- ROSARIA RINALDI (Persona)
- LAURA FAVARETTO (Persona)
- PAOLA FINI (Unità di personale interno)
- MASSIMO ZAMBIANCHI (Unità di personale interno)
- FABIO DELLA SALA (Persona)
- GIOVANNA BARBARELLA (Unità di personale interno)
- GIOVANNA SOTGIU (Unità di personale interno)
- ROBERTO CINGOLANI (Persona)
- ROBERTO CINGOLANI (Unità di personale esterno)
- Ilaria Elena Palamà (Unità di personale esterno)
- Igor Bodrenko (Unità di personale esterno)
- MARIANO BIASIUCCI (Unità di personale esterno)
- ALEKSANDR VIKTOROVICH TERENTJEV (Unità di personale esterno)
- Claudia CARLUCCI (Persona)
- PINALYSA COSMA (Unità di personale esterno)
- CRISTIAN BETTINI (Unità di personale esterno)
- Marco Mazzeo (Persona)
- SAVIO LARICCHIA (Persona)
- GIUSEPPE GIGLI (Unità di personale esterno)
- GIUSEPPE GIGLI (Unità di personale esterno)
- Giuseppe Ciccarella (Persona)
- FRANCESCA DI MARIA (Persona)
- Angela Scrascia (Unità di personale esterno)
- stefania D'Agostino (Unità di personale esterno)
- ILENIA VIOLA (Persona)
- VALENTINA ARIMA (Persona)
- PAOLO EMILIO TREVISANUTTO (Unità di personale interno)
- AGOSTINA LINA CAPODILUPO (Unità di personale interno)
- DENIS GENTILI (Unità di personale interno)
- Rapporto con persona
- Employment relationship with CNR of DOTT. EDUARDO FABIANO (Rapporto con CNR)
- Autore CNR
- The Role of Exact-Exchange in the Theoretical Description of Organic-Metal Interfaces (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Accurate Singlet and Triplet Excitation Energies using the Localized Hartree-Fock Kohn-Sham potential (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Semiclassical Neutral Atom as a Reference System in Density Functional Theory (Articolo in rivista) (Prodotto della ricerca)
- Generalized gradient approximation bridging the rapidly and slowly varying density regimes: A PBE-like functional for hybrid interfaces (Articolo in rivista) (Prodotto della ricerca)
- Frozen density embedding with hybrid functionals (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Theoretical study of singlet and triplet excitation energies in oligothiophenes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Nonradiative relaxation in thiophene-S,S-dioxide derivatives: the role of the environment (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Bright oligothiophene N-succinimidyl esters for efficient labeling of proteins and oligonucleotides (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Nonradiative deexcitation dynamics of 9H-adenine: an OM2 surface hopping study (Articolo in rivista) (Prodotto della ricerca)
- Monodispersed molecular donors for bulk hetero-junktion solar cells: from molecular properties to device performaces (Articolo in rivista) (Prodotto della ricerca)
- Nonadiabatic trajectory calculations with ab initio and semiempirical methods (Contributo in volume (capitolo o saggio)) (Prodotto della ricerca)
- Exchange-correlation generalized gradient approximation for gold nanostructures (Articolo in rivista) (Prodotto della ricerca)
- Generalized Gradient Approximations of the Noninteracting Kinetic Energy from the Semiclassical Atom Theory: Rationalization of the Accuracy of the Frozen Density Embedding Theory for Nonbonded Interactions (Articolo in rivista) (Prodotto della ricerca)
- Theoretical investigation of molecular excited states of polar organic monolayers via an efficient embedding approach (Articolo in rivista) (Prodotto della ricerca)
- Semilocal dynamical correlation with increased localization (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Accuracy of basis-set extrapolation schemes for DFT-RPA correlation energies in molecular calculations (Articolo in rivista) (Prodotto della ricerca)
- Testing the broad applicability of the PBEint GGA functional and its one-parameter hybrid form (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- First disubstituted dibenzothiophene-5,5-dioxide monodispersed molecular materials for efficient blue-electroluminescence. (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Ab-initio study of singlet and triplet excitation energies in oligothiophenes (Articolo in rivista) (Prodotto della ricerca)
- Torsional potential of pi-conjugated molecules using the localized Hartree-Fock Kohn-Sham exchange potential (Articolo in rivista) (Prodotto della ricerca)
- Localized exchange-correlation potential from second-order self-energy for accurate Kohn-Sham energy gap (Articolo in rivista) (Prodotto della ricerca)
- Photoinduced Nonadiabatic Dynamics of 9H-Guanine (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Correlation energy functional from jellium surface analysis (Articolo in rivista) (Prodotto della ricerca)
- Interfacial Electronic Structure of the Dipolar Vanadyl Naphthalocyanine on Au (111): \"Push-back\" vs Dipolar Effects (Articolo in rivista) (Prodotto della ricerca)
- Frozen Density Embedding Calculations with the Orbital-Dependent Localized Hartree-Fock Kohn-Sham Potential (Articolo in rivista) (Prodotto della ricerca)
- Introduction to Computational Molecular Photophysics (Contributo in volume (capitolo o saggio)) (Prodotto della ricerca)
- Self-assembled Monolayers of Cobalt(II)-(4-tert-Butylphenyl)-Porphyrins: The Influence of the Electronic Dipole on Scanning Tunnelling Microscopy Images (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Theoretical study on N-Sucinimidyl oligothiophenes: A novel class of materials for biological applications (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Optical properties of N-succinimidyl-bithiophene and the effects of the binding to biomolecules: comparison between coupled-cluster and time-dependent density-functional theory calculations and experiment (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Torsional effects on excitation energies of thiophene derivatives induced by beta-substituents: comparison between time-dependent density functional theory and approximated coupled cluster approaches (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Implementation of surface hopping molecular dynamics using semiempirical methods (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Approximate switching algorithms for trajectory surface hopping (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Photoinduced nonadiabatic dynamics of pyrimidine nucleobases: On-the-fly surface-hopping study with semiempirical methods (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- QM/MM nonadiabatic decay dynamics of 9H-adenine in aqueous solution (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Two-dimensional scan of the performance of generalized gradient approximations with Perdew-Burke-Ernzerhof-like enhancement factor (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Live-cell-permeant thiophene fluorophores and cell-mediated formation of fluorescent fibrils (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Improving atomization energies of molecules and solids with a spin-dependent gradient correction from one-electron density analysis (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Nonuniform scaling applied to surface energies of transition metals (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- On the accuracy of frozen density embedding calculations with hybrid and orbital-dependent functionals for non-bonded interaction energies (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- A periodic charge-dipole electrostatic model: Parametrization for silver slabs (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Spin-dependent gradient correction for more accurate atomization energies of molecules (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Nonuniform Scaling Applied to Surface Energies of Transition Metals (Articolo in rivista) (Prodotto della ricerca)
- Optimized effective potential method based on spin-resolved components of the second-order correlation energy in density functional theory (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Accurate ionization potential of gold anionic clusters from density functional theory and many-body perturbation theory (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Relevance of coordinate and particle-number scaling in density-functional theory (Articolo in rivista) (Prodotto della ricerca)
- Semilocal and hybrid density embedding calculations of ground-state charge-transfer complexes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Meta-GGA Exchange-Correlation Functional with a Balanced Treatment of Nonlocality (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- A simple non-empirical procedure for spin-component-scaled MP2 methods applied to the calculation of the dissociation energy curve of noncovalently-interacting systems (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Fluorine-Thiophene-Substituted Organic Dyes For Dye Sensitized Solar Cells (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Construction of a general semilocal exchange-correlation hole model: Application to nonempirical meta-GGA functionals (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Laplacian-Level Kinetic Energy Approximations Based on the Fourth-Order Gradient Expansion: Global Assessment and Application to the Subsystem Formulation of Density Functional Theory (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- A density difference based analysis of orbital-dependent exchange-correlation functionals (Articolo in rivista) (Prodotto della ricerca)
- Frozen density embedding with non-integer subsystems' particle numbers (Articolo in rivista) (Prodotto della ricerca)
- Generalized gradient approximation correlation energy functionals based on the uniform electron gas with gap model (Articolo in rivista) (Prodotto della ricerca)
- Kohn-Sham kinetic energy density in the nuclear and asymptotic regions: Deviations from the von Weizsäcker behavior and applications to density functionals (Articolo in rivista) (Prodotto della ricerca)
- \"Darker-than-Black\" PbS Quantum Dots: Enhancing Optical Absorption of Colloidal Semiconductor Nanocrystals via Short Conjugated Ligands. (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Gradient-dependent upper bound for the exchange-correlation energy and application to density functional theory (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Orbital-dependent second-order scaled-opposite-spin correlation functionals in the optimized effective potential method (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Wave Function and Density Functional Theory Studies of Dihydrogen Complexes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Polymorphism in Crystalline Microfibers of Achiral Octithiophene: The Effect on Charge Transport, Supramolecular Chirality and Optical Properties (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- New organic dyes based on a dibenzofulvene bridge for highly efficient dye-sensitized solar cells (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Global Hybrids from the Semiclassical Atom Theory Satisfying the Local Density Linear Response (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)