Lista de obras - Noa Marom - Dominio Público Uruguay

A first-principles study of the electronic and structural properties of Sb and F doped SnO2 nanocrystals

artículo científico publicado en 2015

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules I. Reference Data at the CCSD(T) Complete Basis Set Limit

artículo científico publicado en 2016

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules II: Non-Empirically Tuned Long-Range Corrected Hybrid Functionals.

artículo científico publicado en 2016

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods.

artículo científico publicado en 2016

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods.

artículo científico publicado en 2016

Accurate Valence Ionization Energies from Kohn-Sham Eigenvalues with the Help of Potential Adjustors.

artículo científico publicado en 2017

Accurate description of the electronic structure of organic semiconductors by GW methods

artículo científico publicado en 2017

Assessment of the performance of tuned range-separated hybrid density functionals in predicting accurate quasiparticle spectra

artículo científico publicado en 2012

Benchmark ofGWmethods for azabenzenes

scholarly article in Physical Review B, vol. 86 no. 24, December 2012

Correction to Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods.

artículo científico publicado en 2016

Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion

article

Describing Both Dispersion Interactions and Electronic Structure Using Density Functional Theory: The Case of Metal-Phthalocyanine Dimers.

artículo científico publicado en 2009

Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals.

artículo científico publicado en 2011

Effect of packing motifs on the energy ranking and electronic properties of putative crystal structures of tricyano-1,4-dithiino[c]-isothiazole

artículo científico publicado en 2016

Electronic structure of CoPc adsorbed on Ag(100): Evidence for molecule-substrate interaction mediated by Co 3dorbitals

scholarly article in Physical Review B, vol. 87 no. 7, February 2013

Electronic structure of copper phthalocyanine: a comparative density functional theory study.

artículo científico publicado en 2008

Evolutionary niching in the GAtor genetic algorithm for molecular crystal structure prediction

artículo científico publicado en 2018

GAtor: A First-Principles Genetic Algorithm for Molecular Crystal Structure Prediction

artículo científico publicado en 2018

Genarris: Random generation of molecular crystal structures and fast screening with a Harris approximation

artículo científico publicado en 2018

Machine Learned Model for Solid Form Volume Estimation Based on Packing-Accessible Surface and Molecular Topological Fragments

artículo científico publicado en 2020

Ogre: A Python package for molecular crystal surface generation with applications to surface energy and crystal habit prediction

artículo científico publicado en 2020

On the possibility of singlet fission in crystalline quaterrylene

scientific article published on 01 May 2018

Performance of Dispersion-Inclusive Density Functional Theory Methods for Energetic Materials

artículo científico publicado en 2022

Real space pseudopotential calculations for size trends in Ga- and Al-doped zinc oxide nanocrystals with wurtzite and zincblende structures

artículo científico publicado en 2014

Report on the sixth blind test of organic crystal structure prediction methods

artículo científico publicado en 2016

Size Effects in the Interface Level Alignment of Dye-Sensitized TiO2 Clusters.

artículo científico publicado en 2014

Spin injection across the Fe/GaAs interface: Role of interfacial ordering

scholarly article in Physical Review B, vol. 80 no. 20, November 2009

Stacking and registry effects in layered materials: the case of hexagonal boron nitride

artículo científico publicado en 2010

Structure selection based on high vertical electron affinity for TiO2 clusters

scientific article published on 05 March 2012

Theoretical design of a shallow donor in diamond by lithium-nitrogen codoping

artículo científico publicado en 2012

Lista de obras de Noa Marom

A first-principles study of the electronic and structural properties of Sb and F doped SnO2 nanocrystals

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules I. Reference Data at the CCSD(T) Complete Basis Set Limit

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules II: Non-Empirically Tuned Long-Range Corrected Hybrid Functionals.

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods.

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods.

Accurate Valence Ionization Energies from Kohn-Sham Eigenvalues with the Help of Potential Adjustors.

Accurate description of the electronic structure of organic semiconductors by GW methods

Assessment of the performance of tuned range-separated hybrid density functionals in predicting accurate quasiparticle spectra

Benchmark ofGWmethods for azabenzenes

Correction to Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods.

Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion

Describing Both Dispersion Interactions and Electronic Structure Using Density Functional Theory: The Case of Metal-Phthalocyanine Dimers.

Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals.

Effect of packing motifs on the energy ranking and electronic properties of putative crystal structures of tricyano-1,4-dithiino[c]-isothiazole

Electronic structure of CoPc adsorbed on Ag(100): Evidence for molecule-substrate interaction mediated by Co 3dorbitals

Electronic structure of copper phthalocyanine: a comparative density functional theory study.

Evolutionary niching in the GAtor genetic algorithm for molecular crystal structure prediction

GAtor: A First-Principles Genetic Algorithm for Molecular Crystal Structure Prediction

Genarris: Random generation of molecular crystal structures and fast screening with a Harris approximation

Machine Learned Model for Solid Form Volume Estimation Based on Packing-Accessible Surface and Molecular Topological Fragments

Ogre: A Python package for molecular crystal surface generation with applications to surface energy and crystal habit prediction

On the possibility of singlet fission in crystalline quaterrylene

Performance of Dispersion-Inclusive Density Functional Theory Methods for Energetic Materials

Real space pseudopotential calculations for size trends in Ga- and Al-doped zinc oxide nanocrystals with wurtzite and zincblende structures

Report on the sixth blind test of organic crystal structure prediction methods

Size Effects in the Interface Level Alignment of Dye-Sensitized TiO2 Clusters.

Spin injection across the Fe/GaAs interface: Role of interfacial ordering

Stacking and registry effects in layered materials: the case of hexagonal boron nitride

Structure selection based on high vertical electron affinity for TiO2 clusters

Theoretical design of a shallow donor in diamond by lithium-nitrogen codoping