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Trends for isolated amino acids and dipeptides: Conformation, divalent ion binding, and remarkable similarity of binding to calcium and lead

Scientific reports, 2016-11, Vol.6 (1), p.35772, Article 35772

2016

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Density functional study of structure and dynamics in liquid antimony and Sbn clusters

The Journal of chemical physics, 2017-05, Vol.146 (19), p.194502-194502

2017

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High temperature oxidation of Fe–Al and Fe–Cr–Al alloys: The role of Cr as a chemically active element

Corrosion science, 2010-10, Vol.52 (10), p.3394-3404

2010

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Density functional study of structure and dynamics in liquid antimony and Sb n clusters

The Journal of chemical physics, 2017-05, Vol.146 (19), p.194502

2017

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Crystallization of supercooled liquid antimony: A density functional study

Physical review. B, 2017-11, Vol.96 (18), Article 184102

2017

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Ab initio study of the surface properties of austenitic stainless steel alloys

Surface science, 2013-03, Vol.609, p.190-194

2013

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First-principles atomistic study of surfaces of Fe-rich Fe–Cr

Journal of physics. Condensed matter, 2011-07, Vol.23 (26), p.265004-8

2011

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Segregation at the PdAg(111) surface : Electronic structure calculations

Physical review. B, Condensed matter and materials physics, 2005-01, Vol.71 (4), p.045411.1-045411.6, Article 045411

2005

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Adhesion of the iron-chromium oxide interface from first-principles theory

Journal of physics. Condensed matter, 2013-12, Vol.25 (49), p.495501-495501

2013

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Anomalous bismuth-stabilized (2x1) reconstructions on GaAs(100) and InP(100) surfaces

Physical review letters, 2008-02, Vol.100 (8), p.086101-086101, Article 086101

2008

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Ab initio study of the elastic anomalies in Pd-Ag alloys

Physical review. B, Condensed matter and materials physics, 2009-02, Vol.79 (8), p.085107, Article 085107

2009

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Magnetic origin of the chemical balance in alloyed Fe–Cr stainless steels: First-principles and Ising model study

Computational materials science, 2014-09, Vol.92, p.135-140

2014

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Assessing the Perdew-Burke-Ernzerhof exchange-correlation density functional revised for metallic bulk and surface systems

Physical review. B, Condensed matter and materials physics, 2008-05, Vol.77 (19), p.195445, Article 195445

2008

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Third element effect in the surface zone of Fe-Cr-Al alloys

Physical review. B, Condensed matter and materials physics, 2010-01, Vol.81 (3), p.033105, Article 033105

2010

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Bismuth-stabilized c ( 2 × 6 ) reconstruction on a InSb(100) substrate: Violation of the electron counting model

Physical review. B, Condensed matter and materials physics, 2010-01, Vol.81 (3), p.035310, Article 035310

2010

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Ab initio study of the geometric dependence of AgPd surface segregation

Physical review. B, Condensed matter and materials physics, 2006-11, Vol.74 (19), Article 195401

Ropo, M.

2006

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The chemical potential in surface segregation calculations: AgPd alloys

Surface science, 2006-02, Vol.600 (4), p.904-913

2006

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Towards an Efficient Process Placement Policy for MPI Applications in Multicore Environments

Recent Advances in Parallel Virtual Machine and Message Passing Interface, p.104-115

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EPD078 - COMPARING PREDICTED AND RECONSTRUCTED DOSE RATES FOR FIRST CLINICAL PROTON FLASH TRIAL TREATMENT PLANS

Physica medica, 2022-02, Vol.94, p.S93-S93

2022

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COMPARING PREDICTED AND RECONSTRUCTED DOSE RATES FOR FIRST CLINICAL PROTON FLASH TRIAL TREATMENT PLANS

Physica medica, 2022-02, Vol.94, p.S93

2022

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Core-level shifts of the c(8 × 2)-reconstructed InAs(1 0 0) and InSb(1 0 0) surfaces

Journal of electron spectroscopy and related phenomena, 2010-02, Vol.177 (1), p.52-57

2010

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Magnetism of (FeCo)Si alloys: Extreme sensitivity on crystal structure

Physical review. B, Condensed matter and materials physics, 2006-01, Vol.73 (2), Article 024426

2006

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Core-level shifts of InP(1 0 0)(2 × 4) surface: Theory and experiment

Surface science, 2009, Vol.603 (16), p.2664-2668

2009

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Surface core-level shift of Pd at the AgcPd1-c(111) surface : Nonlinear subsurface effects

Surface science, 2007-12, Vol.601 (23), p.5419-5423

2007

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VolpexMPI: An MPI Library for Execution of Parallel Applications on Volatile Nodes

Recent Advances in Parallel Virtual Machine and Message Passing Interface, p.124-133

Volltextzugriff (PDF)

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Trends for isolated amino acids and dipeptides: Conformation, divalent ion binding, and remarkable similarity of binding to calcium and lead

Density functional study of structure and dynamics in liquid antimony and Sbn clusters

High temperature oxidation of Fe–Al and Fe–Cr–Al alloys: The role of Cr as a chemically active element

Density functional study of structure and dynamics in liquid antimony and Sb n clusters

Crystallization of supercooled liquid antimony: A density functional study

Ab initio study of the surface properties of austenitic stainless steel alloys

First-principles atomistic study of surfaces of Fe-rich Fe–Cr

Segregation at the PdAg(111) surface : Electronic structure calculations

Adhesion of the iron-chromium oxide interface from first-principles theory

Anomalous bismuth-stabilized (2x1) reconstructions on GaAs(100) and InP(100) surfaces

Ab initio study of the elastic anomalies in Pd-Ag alloys

Magnetic origin of the chemical balance in alloyed Fe–Cr stainless steels: First-principles and Ising model study

Assessing the Perdew-Burke-Ernzerhof exchange-correlation density functional revised for metallic bulk and surface systems

Third element effect in the surface zone of Fe-Cr-Al alloys

Bismuth-stabilized c ( 2 × 6 ) reconstruction on a InSb(100) substrate: Violation of the electron counting model

Ab initio study of the geometric dependence of AgPd surface segregation

The chemical potential in surface segregation calculations: AgPd alloys

Towards an Efficient Process Placement Policy for MPI Applications in Multicore Environments

EPD078 - COMPARING PREDICTED AND RECONSTRUCTED DOSE RATES FOR FIRST CLINICAL PROTON FLASH TRIAL TREATMENT PLANS

COMPARING PREDICTED AND RECONSTRUCTED DOSE RATES FOR FIRST CLINICAL PROTON FLASH TRIAL TREATMENT PLANS

Core-level shifts of the c(8 × 2)-reconstructed InAs(1 0 0) and InSb(1 0 0) surfaces

Magnetism of (FeCo)Si alloys: Extreme sensitivity on crystal structure

Core-level shifts of InP(1 0 0)(2 × 4) surface: Theory and experiment

Surface core-level shift of Pd at the AgcPd1-c(111) surface : Nonlinear subsurface effects

VolpexMPI: An MPI Library for Execution of Parallel Applications on Volatile Nodes

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