R. Haberlandt

发表

Structure and Self-Diffusion of Water Molecules in Chabazite: A Molecular Dynamics Study

P. Biswas, J. Kärger, P. Bopp, 2007 .

Introduction to nonlinear science

R. Haberlandt, 1996 .

SIMULATION OF MICROPOROUS SYSTEMS: CONFINED FLUIDS IN EQUILIBRIUM AND DIFFUSION IN ZEOLITES

R. Haberlandt, S. Fritzsche, Horst L. Vörtler, 2001 .

R-matrix theory of reactive atom-diatom collisions

R. Der, R. Haberlandt, O. Gebhardt, 1974 .

About the influence of lattice vibrations on the diffusion of methane in a cation-free LTA zeolite

G. B. Suffritti, P. Demontis, M. Wolfsberg, 1998 .

An MD study on the diffusion of methane in a cation-free LTA zeolite. Illustrations and new results

K. Heinzinger, J. Kärger, M. Wolfsberg, 1997 .

Diffusion of a Mixture of Methane and Xenon in Silicalite: A Molecular Dynamics Study and Pulsed Field Gradient Nuclear Magnetic Resonance Experiments

J. Kärger, S. Jost, R. Haberlandt, 1998 .

On entropic barriers for diffusion in zeolites: A molecular dynamics study

S. Auerbach, A. Schüring, R. Haberlandt, 2002 .

Equilibration of the kinetic energy in small zeolite cavities

M. Wolfsberg, R. Haberlandt, S. Fritzsche, 2000 .

MD — Simulation of Diffusion of Methane in Zeolites of Type LTA

R. Haberlandt, S. Fritzsche, G. Hofmann, 1996 .

An MD study of methane diffusion in zeolites of structure type LTA

H. Pfeifer, J. Kärger, R. Haberlandt, 1994 .

Methane diffusion in zeolites of structure type LTA in dependence on physical and chemical parameters —An MD study

J. Kärger, M. Wolfsberg, R. Haberlandt, 1997 .

A modified cell theory of the liquid state

R. Haberlandt, Horst L. Vörtler, J. Heybey, 1979 .

Ab initio potential energy surface and molecular dynamics simulations for the determination of the diffusion coefficient of water in silicalite-1

S. Hannongbua, R. Haberlandt, S. Fritzsche, 2002 .

Modeling molecular diffusion in channel networks via displacements between the channel segments

J. Kärger, A. Schüring, R. Haberlandt, 2004 .

An MD simulation on the applicability of the diffusion equation for molecules adsorbed in a zeolite

H. Pfeifer, K. Heinzinger, J. Kärger, 1992 .

Application of absolute rate theory to intracrystalline diffusion in zeolites

H. Pfeifer, J. Kärger, R. Haberlandt, 1980 .

Isotope effects in the chemical, geological, and bio sciences

R. Haberlandt, 2010 .

On the diffusion mechanism of methane in a cation-free zeolite of type ZK4

H. Pfeifer, K. Heinzinger, J. Kärger, 1993 .

An MD Study on the Correlation between Transport Diffusion and Self-Diffusion in Zeolites

J. Kärger, R. Haberlandt, S. Fritzsche, 1995 .

Transport processes in porous media: diffusion in zeolites

R. Haberlandt, 1998 .

Molecular dynamics under the confinement by the host lattice in zeolitic adsorbate–adsorbent systems

J. Kärger, R. Haberlandt, 1999 .

Modeling and Simulation of Structure, Thermodynamics, and Transport of Fluids in Molecular Confinements

R. Haberlandt, S. Fritzsche, Horst L. Vörtler, 2004 .

Molecules in Interaction with Surfaces and Interfaces

D. Michel, A. Pöppl, R. Stannarius, 2004 .

The importance of various degrees of freedom in the theoretical study of the diffusion of methane in silicalite-1

M. Wolfsberg, R. Haberlandt, S. Fritzsche, 2003 .

Influence of exchangeable cations on the diffusion of neutral diffusants in zeolites of type LTA. An MD study

H. Pfeifer, K. Heinzinger, J. Kärger, 1995 .

Statistical Theory and Molecular Dynamics of Diffusion in Zeolites

R. Haberlandt, 2005 .

Quantum statistical theory of chemical reactions

R. Der, H. Czerwon, R. Haberlandt, 1977 .

Statistical and Kinetic Approach to Plasmachemical Reactions

R. Haberlandt, W. Stiller, 1990 .

Formation of low-density water clusters in the silicalite-1 cage: A molecular dynamics study

S. Hannongbua, R. Haberlandt, S. Fritzsche, 2003 .

On the diffusion of water in silicalite-1: MD simulations using ab initio fitted potential and PFG NMR measurements

J. Kärger, S. Hannongbua, R. Haberlandt, 2002 .

Fractional Crystallization Models for Calculating Distribution Coefficients of Chemical Elements between Magmas and their Crystallization Products

R. Haberlandt, K. Wetzel, 1987 .

Quantum corrections for second virial coefficients using different Lennard-Jones (m − n) potentials and application to helium

R. Haberlandt, 1965 .

Micro potential method for the estimation of thermodynamic functions of dense fluids

R. Haberlandt, H. Schmid, J. Heybey, 1991 .

Linked cluster expansions in the equations of motion method II

R. Der, R. Haberlandt, 1977 .

On the consistency of zeolitic self-diffusion coefficients

J. Kärger, R. Haberlandt, M. Bülow, 1977 .

Modelling Diffusion in Zeolites by Molecular Dynamics Simulations

S. Jost, A. Schüring, R. Haberlandt, 2000 .

Random walk treatment of dumb-bell molecules in an LTA zeolite and in chabazite

S. Auerbach, A. Schüring, R. Haberlandt, 2004 .

A molecular dynamics (MD) study of methane in silicalite-1: A novel Møller-Plesset potential energy surface

S. Hannongbua, R. Haberlandt, S. Fritzsche, 2004 .

An MD study on the diffusion of a mixture of methane and xenon in silicalite

S. Jost, R. Haberlandt, S. Fritzsche, 1997 .

Molecular dynamics consideration of the mutual thermalization of guest molecules in zeolites

H. Pfeifer, M. Wolfsberg, R. Haberlandt, 1990 .

Optimal binding site of a methane molecule on the silanol covered (010) surface of silicalite-1: ONIOM calculations.

T. Remsungnen, S. Hannongbua, A. Schüring, 2006, The journal of physical chemistry. B.

Structure and energetics of water-silanol binding on the surface of silicalite-1: quantum chemical calculations.

T. Remsungnen, S. Hannongbua, R. Haberlandt, 2005, The journal of physical chemistry. B.

Diffusion of water in silicalite by molecular dynamics simulations: Ab initio based interactions

S. Hannongbua, R. Haberlandt, S. Fritzsche, 2002 .

On the diffusion of water in silicalite-1: MD simulations using ab initio fitted potential and PFG NMR measurements

J. Kärger, S. Hannongbua, R. Haberlandt, 2002 .

Molecular dynamics simulations of static and dynamic properties of water adsorbed in chabazite

S. Jost, R. Haberlandt, S. Fritzsche, 2002 .

Linked-cluster expansions in the equations of motion method for nonequilibrium processes

R. Der, R. Haberlandt, 1975 .

ON THE RELAXATION OF THE TRANSLATIONAL ENERGY IN BINARY MIXTURES OF DENSE HARD SPHERE SYSTEMS

R. Haberlandt, S. Fritzsche, H. Michalik, 1996 .

Relaxation of translational energy in binary mixtures of dense hard sphere systems

R. Haberlandt, S. Fritzsche, A. S. Cukrowski, 1994 .

On the generalization of the Enskog equation to the case of steep repulsive potentials

R. Der, R. Haberlandt, S. Fritzsche, 1982 .

Transition State Theory in Isotope and Radiation Chemistry

R. Haberlandt, S. Vass, W. Stiller, 1985 .

Isotopic Effects in the Self-diffusion Coefficient in an Equimolar Binary Mixture

R. Haberlandt, S. Fritzsche, 1987 .