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List of works by Wolf Gero Schmidt

A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions in Water

scientific article published on 15 January 2016

Activation of surface hydroxyl groups by modification of H-terminated Si(111) surfaces

scientific article published on 15 May 2012

Adatom-induced conductance modification of in nanowires: potential-well scattering and structural effects

scientific article published on 11 March 2008

Atomic Structure of the Sb-Stabilized GaAs(100)-(2 x 4) Surface

scientific article published on 01 November 1996

Atomic structure of interface states in silicon heterojunction solar cells

scientific article published on 26 March 2013

Atomistic picture of charge density wave formation at surfaces

scientific article published on 02 November 2012

Attracted by long-range electron correlation: adenine on graphite

scientific article published on 24 October 2005

Beyond the molecular movie: Dynamics of bands and bonds during a photoinduced phase transition

scientific article published on 15 November 2018

Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory

scientific article published on 8 January 2013

Controlled growth of ordered monolayers of N-heterocyclic carbenes on silicon

scientific article published in 2021

Coulombic amino group-metal bonding: adsorption of adenine on Cu110

scientific article published on 16 June 2005

Current density analysis of electron transport through molecular wires in open quantum systems

scientific article published on 7 May 2017

Density functional theory of the CuA -like Cu2 S2 diamond core in Cu 2II(NGuaS)2 Cl2.

scientific article published on 24 January 2016

Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) - (4 × 1) phase transition

scientific article

Electrically Detected Electron-Spin-Echo Envelope Modulation: A Highly Sensitive Technique for Resolving Complex Interface Structures

scientific article published in Physical Review Letters

Electron paramagnetic resonance study of ferroelectric phase transition and dynamic effects in a Mn2+ doped [NH4][Zn(HCOO)3] hybrid formate framework

scientific article published on 17 April 2020

Energetics of Si(001) surfaces exposed to electric fields and charge injection

scientific article published on 14 July 2004

Entropy Explains Metal-Insulator Transition of the Si(111)-In Nanowire Array ⬇️

scientific article published on September 17, 2010

Exchange reactions versus adsorption geometries for Se/GaAs(110)

scientific article published on 01 December 1994

Experimental and Theoretical High-Energy-Resolution X-ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State

scientific article published on 4 November 2016

Femtosecond transfer dynamics of photogenerated electrons at a surface resonance of reconstructed InP(100)

scientific article published on 14 February 2005

Ferroelectric phase transition in LiNbO3: Insights from molecular dynamics ⬇️

scientific article published on 01 September 2012

Frigge et al. reply

scientific article published on 01 October 2013

Ga-rich limit of surface reconstructions on GaAs(001): atomic structure of the (4 x 6) phase

scientific article published on 20 December 2004

Geometrical and electronic structure of the reconstructed diamond (100) surface

scientific article published on 01 December 1994

Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory†

scientific article published on 2 October 2013

Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: insights from TD-DFT and many-body perturbation theory (part II).

scientific article published on 25 September 2014

Geometry and electronic structure of GaAs(001)(2 x 4) reconstructions

scientific article published on 01 December 1996

Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions.

scientific article published on 11 March 2009

Hexagon versus trimer formation in in nanowires on Si(111): energetics and quantum conductance

scientific article published on 11 January 2007

Hydrogen interaction with Sb-terminated GaAs and InP (110) surfaces

scientific article published on 01 December 1995

III-V(110) surface dynamics from an ab initio frozen-phonon approach

scientific article published on 01 July 1995

Identification of the nitrogen split interstitial (N-N)(N) in GaN

scientific article published on 16 November 2012

Identifying On-Surface Site-Selective Chemical Conversions by Theory-Aided NEXAFS Spectroscopy: The Case of Free-Base Corroles on Ag(111)

scientific article published on 23 April 2018

Impurity-Mediated Early Condensation of a Charge Density Wave in an Atomic Wire Array.

scientific article published on 4 December 2015

InP(001)-(2 x 1) surface: a hydrogen stabilized structure

scientific article published on 24 March 2003

Influence of structural defects and oxidation onto hole conductivity in P3HT

scientific article published on 19 May 2015

Initial stage of Si(001) surface oxidation from first-principles calculations

scientific article published on 01 September 2005

LiNbO₃ surfaces from a microscopic perspective

scientific article

Linear and nonlinear optical response of LiNbO3 calculated from first principles

scientific article published in September 2012

Long-range chiral recognition due to substrate locking and substrate-adsorbate charge transfer

scientific article published on 09 November 2007

Manipulation resolves non-trivial structure of corrole monolayer on Ag(111).

scientific article published on 2 December 2015

Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model

scientific article published on 01 June 2014

Molecular Orbital Rule for Quantum Interference in Weakly Coupled Dimers: Low-Energy Giant Conductivity Switching Induced by Orbital Level Crossing

scientific article published on 20 January 2017

On-Surface Site-Selective Cyclization of Corrole Radicals.

scientific article published on 17 February 2017

Optical Properties of Ordered As Layers on InP(110) Surfaces

scientific article published on 01 July 1996

Optical absorption of water: coulomb effects versus hydrogen bonding

scientific article published on 27 January 2005

Optical properties of Sb-terminated GaAs and InP (110) surfaces

scientific article published on 01 October 1995

Optically excited structural transition in atomic wires on surfaces at the quantum limit.

scientific article

Phenanthrenequinone adsorbed on Si(001): geometries, electronic properties, and optical response

scientific article published on 01 April 2005

Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory

scientific article

Photocatalytic properties of graphene-supported titania clusters from density-functional theory

scientific article published on 16 June 2020

Preserving charge and oxidation state of Au(III) ions in an agent-functionalized nanocrystal model system

scientific article

Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects

scientific article published in Physical Review Letters

Se/GaAs(110): Atomic and electronic structure

scientific article published on 01 December 1994

Steric effects and chirality in the adsorption of glycine and phenylglycine on Cu(110) ⬇️

scientific article published on September 21, 2007

Structure formation in diindenoperylene thin films on copper(111)

scientific article published on 05 March 2015

Structure of si(111)-in nanowires determined from the midinfrared optical response

scientific article published on 05 June 2009

Structure of the diamond (111) surface: Single-dangling-bond versus triple-dangling-bond face

scientific article published on 01 May 1996

Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals

Surface induced vibrational modes in the fluorescence spectra of PTCDA adsorbed on the KCl(100) and NaCl(100) surfaces.

scientific article

Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles

scientific article published on 13 June 2016

The Cu2O2 torture track for a real-life system: [Cu2(btmgp)2O2](2+) oxo and peroxo species in density functional calculations

scientific article

The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides

scientific article published on 22 May 2014

Vibrational properties of the LiNbO3 z-surfaces

scientific article published on 01 September 2011

Zn-VI quasiparticle gaps and optical spectra from many-body calculations.

scientific article

[Cu6 (NGuaS)6 ]2+ and its oxidized and reduced derivatives: Confining electrons on a torus.

scientific article published on 10 April 2017

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