UB Paderborn / Katalog / Suche / in CDI

Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences, 2009-03, Vol.367 (1890), p.967-985

2009

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Application of molecular dynamics DL_POLY codes to interfaces of inorganic materials

Molecular simulation, 2006-10, Vol.32 (12-13), p.1079-1093

2006

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A systematic typology for negative Poisson's ratio materials and the prediction of complete auxeticity in pure silica zeolite JSTElectronic supplementary information (ESI) available: Detailed exposition of the auxetic typology and elastic constants for all calculated zeolites. See DOI: 10.1039/c5cp01168j

2015-07

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Dynamics and free energy of α-alumina (0001) surfaces: I. Semi-empirical model

Journal of physics. Condensed matter, 2002-09, Vol.14 (34), p.7797-7810

2002

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Dynamics and free energy of -alumina (0001) surfaces: I. Semi-empirical model

Journal of physics. Condensed matter, 2002-09, Vol.14 (34), p.7797-7810

2002

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Modelling negative linear compressibility in tetragonal beam structures

Mechanics of materials, 2012-03, Vol.46, p.123-128

2012

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Thermodynamics/Dynamics Coupling in Weakly Compressible Turbulent Stratified Fluids

ISRN Thermodynamics, 2012-03, Vol.2012, p.1-15

2012

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A molecular dynamics study of the structure of water layers adsorbed on MgO(100)

The Journal of chemical physics, 1998-08, Vol.109 (8), p.3245-3254

1998

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The α-alumina(0001)surface: relaxations and dynamics from shell model and density functional theory

Journal of the European Ceramic Society, 2003, Vol.23 (15), p.2729-2735

2003

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Self diffusion of argon in flexible, single wall, carbon nanotubes

Molecular simulation, 2005-04, Vol.31 (5), p.385-389

2005

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Surface Structure of (101̄0) and (112̄0) Surfaces of ZnO with Density Functional Theory and Atomistic Simulation

The journal of physical chemistry. B, 2006-04, Vol.110 (15), p.7985-7991

2006

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From HADES to PARADISE—atomistic simulation of defects in minerals

Journal of physics. Condensed matter, 2004-07, Vol.16 (27), p.S2735-2749

2004

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Orientational Ordering on a Corrugated Substrate: Novel Pinwheel Structure for N 2 Adsorbed on Cu(110)

Physical review letters, 1997-02, Vol.78 (8), p.1504-1507

1997

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Ab Initio Surface Phase Diagram of the {101̄4} Calcite Surface

The journal of physical chemistry. B, 2005-10, Vol.109 (39), p.18211-18213

2005

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Transfer of a pollutant molecule through a water film on a single crystal surface

The Journal of chemical physics, 1999-09, Vol.111 (11), p.4862-4864

1999

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Adsorption and structure of N 2 on copper(110)

Surface science, 1997-07, Vol.383 (2), p.321-339

1997

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Simple Analytical Model for the Interaction between a Molecule and a Surface with a Step

Langmuir, 1996-08, Vol.12 (16), p.3969-3975

1996

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Negative linear compressibility in common materials

Flexibility in MOFs: do scalar and group-theoretical counting rules work?

A systematic typology for negative Poisson's ratio materials and the prediction of complete auxeticity in pure silica zeolite JST

Auxetic frameworks inspired by cubic crystals

JRC's on-line fission gas release monitoring system in the high flux reactor Petten

Flexibility in MOFs: do scalar and group-theoretical counting rules work?Electronic supplementary information (ESI) available: Step-by-step derivation for the pcb assembly and group theoretical calculations in spreadsheet form. See DOI: 10.1039/c5dt03586d

Revisiting the concept of HTR wallpaper fuel

Nuclear powered heat pumps for near-term process heat applications

eScience for molecular-scale simulations and the eMinerals project

Application of molecular dynamics DL_POLY codes to interfaces of inorganic materials

Dynamics and free energy of α-alumina (0001) surfaces: I. Semi-empirical model

Dynamics and free energy of -alumina (0001) surfaces: I. Semi-empirical model

Modelling negative linear compressibility in tetragonal beam structures

Thermodynamics/Dynamics Coupling in Weakly Compressible Turbulent Stratified Fluids

A molecular dynamics study of the structure of water layers adsorbed on MgO(100)

The α-alumina(0001)surface: relaxations and dynamics from shell model and density functional theory

Self diffusion of argon in flexible, single wall, carbon nanotubes

Surface Structure of (101̄0) and (112̄0) Surfaces of ZnO with Density Functional Theory and Atomistic Simulation

From HADES to PARADISE—atomistic simulation of defects in minerals

Orientational Ordering on a Corrugated Substrate: Novel Pinwheel Structure for N 2 Adsorbed on Cu(110)

Ab Initio Surface Phase Diagram of the {101̄4} Calcite Surface

Transfer of a pollutant molecule through a water film on a single crystal surface

Adsorption and structure of N 2 on copper(110)

Simple Analytical Model for the Interaction between a Molecule and a Surface with a Step

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