Lista de obras - Peter Puschnig - Dominio Público Uruguay

A momentum space view of the surface chemical bond

scientific article published on 31 January 2011

ATAT@WIEN2k: An interface for cluster expansion based on the linearized augmented planewave method

Ab initio study of anthracene under high pressure

scholarly article in Physical Review B, vol. 67 no. 18, May 2003

AlL2,3edge x-ray absorption spectra in III-V semiconductors: Many-body perturbation theory in comparison with experiment

scholarly article in Physical Review B, vol. 83 no. 19, May 2011

All-electron Bethe-Salpeter calculations for shallow-core x-ray absorption near-edge structures

article by Weine Olovsson et al published 13 January 2009 in Physical Review B

Alternating chirality in the monolayer H2TPP on Cu(110)-(2 × 1)O.

artículo científico publicado en 2013

Angle-resolved photoemission of chain-like molecules: the electronic band structure of sexithiophene and sexiphenyl

Atomistic Modeling of Optical Properties of Thin Films

Band renormalization of a polymer physisorbed on graphene investigated by many-body perturbation theory

scholarly article in Physical Review B, vol. 86 no. 8, August 2012

Calculated Optical Absorption of Anthracene under High Pressure

Characterization of step-edge barriers in organic thin-film growth

artículo científico publicado en 2008

Charge Transfer and Orbital Level Alignment at Inorganic/Organic Interfaces: The Role of Dielectric Interlayers

artículo científico

Coexisting Charge States in a Unary Organic Monolayer Film on a Metal

artículo científico publicado en 2019

Cohesive and surface energies ofπ-conjugated organic molecular crystals: A first-principles study

scholarly article in Physical Review B, vol. 77 no. 24, June 2008

Controlling the electronic and physical coupling on dielectric thin films

artículo científico publicado en 2020

Corrigendum: Epitaxy of highly ordered organic semiconductor crystallite networks supported by hexagonal boron nitride

artículo científico publicado en 2017

Crystal and electronic structures of pentacene thin films from grazing-incidence x-ray diffraction and first-principles calculations

scholarly article in Physical Review B, vol. 76 no. 23, December 2007

Crystal structure determination from two-dimensional powders: A combined experimental and theoretical approach

CuPc/Au(1 1 0): Determination of the azimuthal alignment by a combination of angle-resolved photoemission and density functional theory

artículo científico publicado en 2014

Development and character of gap states on alkali doping of molecular films

article

Diffusive and massive phase transformations in Ti–Al–Nb alloys – Modelling and experiments

ElaStic: A tool for calculating second-order elastic constants from first principles

article by Rostam Golesorkhtabar et al published August 2013 in Computer Physics Communications

Electronic band structure of pentacene: An experimental and theoretical study

scholarly article in Physical Review B, vol. 77 no. 11, March 2008

Electronic, optical, and structural properties of oligophenylene molecular crystals under high pressure: An ab initio investigation

scholarly article in Physical Review B, vol. 67 no. 23, June 2003

Energy Ordering of Molecular Orbitals.

artículo científico publicado en 2016

Energy offsets within a molecular monolayer: the influence of the molecular environment

article published in 2013

Epitaxial growth of π-stacked perfluoropentacene on graphene-coated quartz

artículo científico publicado en 2012

Epitaxy of rodlike organic molecules on sheet silicates--a growth model based on experiments and simulations

artículo científico publicado en 2011

Evidence of Hybrid Excitons in Weakly Interacting Nanopeapods

artículo científico publicado en 2013

Excitonic effects in 3D-polyacetylene

Excitonic effects in molecular crystals built up by small organic molecules

Excitons in organic semiconductors

Experimental and theoretical electronic structure of quinacridone ⬇️

artículo científico publicado en 2014

Exploring three-dimensional orbital imaging with energy-dependent photoemission tomography.

artículo científico publicado en 2015

First-principles approach to the understanding of π-conjugated organic semiconductors

article

First-principles calculation of hot-electron scattering in metals

scholarly article in Physical Review B, vol. 70 no. 23, December 2004

High pressure x-ray study on anthracene

Hot-electron lifetimes in metals: A combined ab initio calculation and ballistic electron emission spectroscopy analysis

scholarly article in Physical Review B, vol. 68 no. 8, August 2003

Hybridization of organic molecular orbitals with substrate states at interfaces: PTCDA on silver

artículo científico publicado en 2010

Identifying surface reaction intermediates with photoemission tomography

artículo científico publicado en 2019

Importance of Van Der Waals Interaction for Organic Molecule-Metal Junctions: Adsorption of Thiophene on Cu(110) as a Prototype

artículo científico publicado en 2007

Influence of Film and Substrate Structure on Photoelectron Momentum Maps of Coronene Thin Films on Ag(111).

artículo científico publicado en 2017

Influence of the molecular geometry on the photoexcitations of highly emissive organic semiconductors

Initial stages of apara-hexaphenyl film growth on amorphous mica

scholarly article in Physical Review B, vol. 83 no. 7, February 2011

Interchain interaction and Davydov splitting in polythiophene crystals: An ab initio approach

article

Intra- and Intermolecular Band Dispersion in an Organic Crystal

artículo científico publicado en 2007

Kekulene: On-Surface Synthesis, Orbital Structure, and Aromatic Stabilization

artículo científico publicado en 2020

Lowest optical excitations in molecular crystals: bound excitons versus free electron-hole pairs in anthracene

artículo científico publicado en 2004

Microstructure and Phase Behavior of a Quinquethiophene-Based Self-Assembled Monolayer as a Function of Temperature

Multi-orbital charge transfer at highly oriented organic/metal interfaces.

artículo científico publicado en 2017

Near-edge structures from first principles all-electron Bethe-Salpeter equation calculations

artículo científico publicado en 2009

On the decoupling of molecules at metal surfaces

artículo científico publicado en 2018

On-surface nickel porphyrin mimics the reactive center of an enzyme cofactor

scientific article published on 01 November 2018

Optical absorption spectra of semiconductors and insulators including electron-hole correlations: Anab initiostudy within the LAPW method

scholarly article in Physical Review B, vol. 66 no. 16, October 2002

Orbital tomography for highly symmetric adsorbate systems

Orbital tomography: Deconvoluting photoemission spectra of organic molecules

scholarly article in Physical Review B, vol. 84 no. 23, December 2011

Orbital tomography: Molecular band maps, momentum maps and the imaging of real space orbitals of adsorbed molecules.

artículo científico publicado en 2015

Photoisomerization for a molecular switch in contact with a surface

scholarly article in Physical Review B, vol. 85 no. 3, January 2012

Publisher Correction: Multi-orbital charge transfer at highly oriented organic/metal interfaces.

artículo científico publicado en 2017

Raman- and infrared-active phonons in superconducting and nonsuperconducting rare-earth transition-metal borocarbides from full-potential calculations

scholarly article by P. Ravindran et al published 14 March 2003 in Physical Review B

Reconstruction of molecular orbital densities from photoemission data

artículo científico publicado en 2009

Stacking-fault energy and anti-Invar effect in Fe-Mn alloy from first principles

scholarly article in Physical Review B, vol. 86 no. 6, August 2012

Structure Solution of the 6,13-Pentacenequinone Surface-Induced Polymorph by Combining X-ray Diffraction Reciprocal-Space Mapping and Theoretical Structure Modeling

Substrate-mediated band-dispersion of adsorbate molecular states

artículo científico publicado en 2013

Suppression of electron-hole correlations in 3D polymer materials

artículo científico publicado en 2002

Synthesis and Combined Experimental and Theoretical Characterization of Dihydro-tetraaza-acenes.

artículo científico publicado en 2018

The Be K-edge in beryllium oxide and chalcogenides: soft x-ray absorption spectra from first-principles theory and experiment

artículo científico publicado en 2013

The electronic structure of pentacene revisited

article published in 2009

The influence of interstitial carbon on the γ-surface in austenite

The interplay between interface structure, energy level alignment and chemical bonding strength at organic-metal interfaces

artículo científico publicado en 2014

The role of polymorphism in organic thin films: oligoacenes investigated from first principles

Theoretical study of PTCDA adsorbed on the coinage metal surfaces, Ag(111), Au(111) and Cu(111)

Thermal expansion coefficient of WRe alloys from first principles

scholarly article in Physical Review B, vol. 96 no. 3, July 2017

Unexpected interplay of bonding height and energy level alignment at heteromolecular hybrid interfaces

artículo científico publicado en 2014

X-ray diffraction study of anthracene under high pressure

kMap.py: A Python program for simulation and data analysis in photoemission tomography

artículo científico publicado en 2021

noloco: An efficient implementation of van der Waals density functionals based on a Monte-Carlo integration technique

artículo científico publicado en 2011

Lista de obras de Peter Puschnig

A momentum space view of the surface chemical bond

ATAT@WIEN2k: An interface for cluster expansion based on the linearized augmented planewave method

Ab initio study of anthracene under high pressure

AlL2,3edge x-ray absorption spectra in III-V semiconductors: Many-body perturbation theory in comparison with experiment

All-electron Bethe-Salpeter calculations for shallow-core x-ray absorption near-edge structures

Alternating chirality in the monolayer H2TPP on Cu(110)-(2 × 1)O.

Angle-resolved photoemission of chain-like molecules: the electronic band structure of sexithiophene and sexiphenyl

Atomistic Modeling of Optical Properties of Thin Films

Band renormalization of a polymer physisorbed on graphene investigated by many-body perturbation theory

Calculated Optical Absorption of Anthracene under High Pressure

Characterization of step-edge barriers in organic thin-film growth

Charge Transfer and Orbital Level Alignment at Inorganic/Organic Interfaces: The Role of Dielectric Interlayers

Coexisting Charge States in a Unary Organic Monolayer Film on a Metal

Cohesive and surface energies ofπ-conjugated organic molecular crystals: A first-principles study

Controlling the electronic and physical coupling on dielectric thin films

Corrigendum: Epitaxy of highly ordered organic semiconductor crystallite networks supported by hexagonal boron nitride

Crystal and electronic structures of pentacene thin films from grazing-incidence x-ray diffraction and first-principles calculations

Crystal structure determination from two-dimensional powders: A combined experimental and theoretical approach

CuPc/Au(1 1 0): Determination of the azimuthal alignment by a combination of angle-resolved photoemission and density functional theory

Development and character of gap states on alkali doping of molecular films

Diffusive and massive phase transformations in Ti–Al–Nb alloys – Modelling and experiments

ElaStic: A tool for calculating second-order elastic constants from first principles

Electronic band structure of pentacene: An experimental and theoretical study

Electronic, optical, and structural properties of oligophenylene molecular crystals under high pressure: An ab initio investigation

Energy Ordering of Molecular Orbitals.

Energy offsets within a molecular monolayer: the influence of the molecular environment

Epitaxial growth of π-stacked perfluoropentacene on graphene-coated quartz

Epitaxy of rodlike organic molecules on sheet silicates--a growth model based on experiments and simulations

Evidence of Hybrid Excitons in Weakly Interacting Nanopeapods

Excitonic effects in 3D-polyacetylene

Excitonic effects in molecular crystals built up by small organic molecules

Excitons in organic semiconductors

Experimental and theoretical electronic structure of quinacridone ⬇️

Exploring three-dimensional orbital imaging with energy-dependent photoemission tomography.

First-principles approach to the understanding of π-conjugated organic semiconductors

First-principles calculation of hot-electron scattering in metals

High pressure x-ray study on anthracene

Hot-electron lifetimes in metals: A combined ab initio calculation and ballistic electron emission spectroscopy analysis

Hybridization of organic molecular orbitals with substrate states at interfaces: PTCDA on silver

Identifying surface reaction intermediates with photoemission tomography

Importance of Van Der Waals Interaction for Organic Molecule-Metal Junctions: Adsorption of Thiophene on Cu(110) as a Prototype

Influence of Film and Substrate Structure on Photoelectron Momentum Maps of Coronene Thin Films on Ag(111).

Influence of the molecular geometry on the photoexcitations of highly emissive organic semiconductors

Initial stages of apara-hexaphenyl film growth on amorphous mica

Interchain interaction and Davydov splitting in polythiophene crystals: An ab initio approach

Intra- and Intermolecular Band Dispersion in an Organic Crystal

Kekulene: On-Surface Synthesis, Orbital Structure, and Aromatic Stabilization

Lowest optical excitations in molecular crystals: bound excitons versus free electron-hole pairs in anthracene

Microstructure and Phase Behavior of a Quinquethiophene-Based Self-Assembled Monolayer as a Function of Temperature

Multi-orbital charge transfer at highly oriented organic/metal interfaces.

Near-edge structures from first principles all-electron Bethe-Salpeter equation calculations

On the decoupling of molecules at metal surfaces

On-surface nickel porphyrin mimics the reactive center of an enzyme cofactor

Optical absorption spectra of semiconductors and insulators including electron-hole correlations: Anab initiostudy within the LAPW method

Orbital tomography for highly symmetric adsorbate systems

Orbital tomography: Deconvoluting photoemission spectra of organic molecules

Orbital tomography: Molecular band maps, momentum maps and the imaging of real space orbitals of adsorbed molecules.

Photoisomerization for a molecular switch in contact with a surface

Publisher Correction: Multi-orbital charge transfer at highly oriented organic/metal interfaces.

Raman- and infrared-active phonons in superconducting and nonsuperconducting rare-earth transition-metal borocarbides from full-potential calculations

Reconstruction of molecular orbital densities from photoemission data

Stacking-fault energy and anti-Invar effect in Fe-Mn alloy from first principles

Structure Solution of the 6,13-Pentacenequinone Surface-Induced Polymorph by Combining X-ray Diffraction Reciprocal-Space Mapping and Theoretical Structure Modeling

Substrate-mediated band-dispersion of adsorbate molecular states

Suppression of electron-hole correlations in 3D polymer materials

Synthesis and Combined Experimental and Theoretical Characterization of Dihydro-tetraaza-acenes.

The Be K-edge in beryllium oxide and chalcogenides: soft x-ray absorption spectra from first-principles theory and experiment

The electronic structure of pentacene revisited

The influence of interstitial carbon on the γ-surface in austenite

The interplay between interface structure, energy level alignment and chemical bonding strength at organic-metal interfaces

The role of polymorphism in organic thin films: oligoacenes investigated from first principles

Theoretical study of PTCDA adsorbed on the coinage metal surfaces, Ag(111), Au(111) and Cu(111)

Thermal expansion coefficient of WRe alloys from first principles

Unexpected interplay of bonding height and energy level alignment at heteromolecular hybrid interfaces

X-ray diffraction study of anthracene under high pressure

kMap.py: A Python program for simulation and data analysis in photoemission tomography

noloco: An efficient implementation of van der Waals density functionals based on a Monte-Carlo integration technique