C. R. A. Catlow

发表

Self-consistent embedded cluster approach and its application to color centers at the surface of MgO

Pv Sushko, Alexander L. Shluger, C. R. A. Catlow, 1998 .

The effect of coordination on the properties of oxygen vacancies in FeSbO4.

C. R. A. Catlow, Ricardo Grau-Crespo, N. H. de Leeuw, 2005 .

Classical and Quantum Modelling of Defect Centers in MgO : A Comparison

C. R. A. Catlow, R W Grimes, Alastair N. Cormack, 1987 .

MODELING ELECTRONIC DEFECTS USING EMBEDDED QUANTUM CLUSTER METHODOLOGY

C. R. A. Catlow, R W Grimes, Al Shluger, 1991 .

Quantum-mechanical investigations of transition metal oxides

C. R. A. Catlow, Furio Corà, 1997 .

ENERGETIC TRENDS IN TEMPLATE-HOST INTERACTIONS - COMPUTER-SIMULATIONS OF TEMPLATE BINDING WITHIN ZEOLITIC STRUCTURES

C. R. A. Catlow, Dw Lewis, C. M. Freeman, 1994 .

Preparation and Characterization of a New Layered Magnesium Phosphate: MgHPO4 · 1.2H2O

C. R. A. Catlow, John Meurig Thomas, Rodney P. Townsend, 1993 .

DFT modelling of ZrO2 and CeO2 ultra-thin films supported on Pt and Rh metals.

C. R. A. Catlow, Ricardo Grau-Crespo, N. H. de Leeuw, 2007 .

Modelling of Structures of Heterogeneous Catalysts

Robert G. Bell, C. R. A. Catlow, Scott M. Woodley, 2008 .

MODELS OF SELF-TRAPPED EXCITONS IN INSULATING SOLIDS

C. R. A. Catlow, R W Grimes, Al Shluger, 1992 .

COMPUTER-SIMULATION OF DEFECTS IN POLAR SOLIDS - PREFACE

C. R. A. Catlow, Am Stoneham, 1989 .

High-performance computing in the chemistry and physics of materials INTRODUCTION

C. R. A. Catlow, Scott M. Woodley, 2011 .

An embedding approach to surface reactions on multicomponent metal/metal oxide catalysts.

Alexey A. Sokol, C. R. A. Catlow, Stefan T. Bromley, 2002 .

A computational study of the nature of Ti(IV) active sites in mesoporous titanosilicate catalysts.

C. R. A. Catlow, Thomas Maschmeyer, John Meurig Thomas, 1997 .

In situ study of the formation of CdS nanoparticles by small-angle X-ray scattering

C. R. A. Catlow, Julian D. Gale, Scott M. Woodley, 2003 .

Static lattice modelling and structure prediction of micro- and mesoporous materials

Robert G. Bell, C. R. A. Catlow, Ben Slater, 2004 .

A Comparison of Defect Energies using Mott-Littleton and Quantum Mechanical Procedures

C. R. A. Catlow, R W Grimes, A. M. Stoneham, 1989 .

An introduction to molecular heterogeneous catalysis

Robert G. Bell, Dewi W. Lewis, C. R. A. Catlow, 1997 .

Combined x-ray absorption spectroscopy and x-ray powder diffraction

C. R. A. Catlow, Richard H. Jones, John Meurig Thomas, 1991, Optics & Photonics.

A comparison of defect energies in MgO using Mott-Littleton and quantum mechanical procedures

C. R. A. Catlow, A M Stoneham, R W Grimes, 1989 .

Interatomic potentials for oxides

C. R. A. Catlow, C. M. Freeman, Robert A. Jackson, 1988 .

Predicting the Templating Ability of Organic Additives for the Synthesis of Microporous Materials

Dewi W. Lewis, C. R. A. Catlow, C. M. Freeman, 1995 .

Ab initio potentials for the calculation of the dynamical and elastic properties of α-quartz

C. R. A. Catlow, John A. Purton, C. Catlow, 1993 .

Computer simulation of solids

C. R. A. Catlow, C. Catlow, W. C. Mackrodt, 1982 .

Molecular modeling of carbonaceous compounds formed inside the pores of FER zeolite during skeletal isomerization of n-butene

Robert G. Bell, C. R. A. Catlow, C. Catlow, 2000 .

Ab initio and molecular-mechanics studies of aluminosilicate fragments, and the origin of Lowenstein's rule

C. R. A. Catlow, C. M. Freeman, C. Catlow, 1996 .

Simulating and predicting crystal structures

Robert G. Bell, C. R. A. Catlow, C. M. Freeman, 1993, Proceedings of the Royal Society of London. Series A: Mathematical and Physical Sciences.

Computational Approaches to the Determination of Active Site Structures and Reaction Mechanisms in Heterogeneous Catalysts

Alexey A. Sokol, C. R. A. Catlow, J. M. Thomas, 2005 .

Molecular dynamics simulations of vitreous silica structures

Akira Takada, Geoffrey D. Price, C. R. A. Catlow, 2004 .

The prediction of close packed and porous inorganic crystal structures

C. R. A. Catlow, Julian D. Gale, Scott M. Woodley, 2002 .

A new method for determining water–cation short‐range potentials for modeling water in aluminosilicate lattices

C. R. A. Catlow, Robert A. Jackson, A. J. Richards, 1990 .

Potentials for Molecular Dynamics Simulation of Silicate Glasses

C. R. A. Catlow, Maurice Leslie, B. Vessal, 1990 .

Defect aggregation in anion-excess fluorites. Dopant monomers and dimers

C. R. A. Catlow, Patrick W. M. Jacobs, John Corish, 1982 .

A computer modeling study of defect and dopant states in SnO2

C. R. A. Catlow, C. M. Freeman, C. Catlow, 1990 .

The stability of fission products in uranium dioxide

C. R. A. Catlow, C. Catlow, C. Catlow, 1991, Philosophical Transactions of the Royal Society of London. Series A: Physical and Engineering Sciences.

Industrial Applications of Simulation Studies in Solid State Chemistry

Geoffrey D. Price, C. R. A. Catlow, Stephen C. Parker, 1989 .

Theory of fission gas migration in UO2

C. R. A. Catlow, C. Catlow, 1980 .

Radiation effects in crystalline ceramics for the immobilization of high-level nuclear waste and plutonium

Steven J. Zinkle, C. R. A. Catlow, William J. Weber, 1998 .

Computer Modeling as a Technique in Materials Chemistry

C. R. A. Catlow, 1998 .

Computer modelling in inorganic crystallography

C. R. A. Catlow, C. Catlow, 1997 .

Löwenstein's rule in zeolite A: A computational study

Robert G. Bell, C. R. A. Catlow, Robert A. Jackson, 1992 .

Computer modelling of fluids polymers and solids

C. R. A. Catlow, Stephen C. Parker, S. C. Parker, 1989 .

Modelling of structure and reactivity in zeolites

Robert G. Bell, Dewi W. Lewis, C. R. A. Catlow, 1995 .

A computational study of the effect of Xe concentration on the behaviour of single Xe atoms in UO2

C. R. A. Catlow, C. Catlow, H. Matzke, 1995 .

Brillouin scattering and theoretical studies of high-temperature disorder in fluorite crystals

C. R. A. Catlow, R. T. Harley, C. Catlow, 1978 .

An ab-initio Hartree-Fock perturbed-cluster study of neutral defects in LiF

C. R. A. Catlow, Roberto Orlando, Cesare Pisani, 1993 .

Study of Surface Segregation of Antimony on SnO2 Surfaces by Computer Simulation Techniques

C. R. A. Catlow, David E. Williams, Ben Slater, 1999 .

Interatomic potentials for SiO2

C. R. A. Catlow, Maurice Leslie, C. Catlow, 1984 .

A calculation of the Frenkel defect formation energy in silver chloride

C. R. A. Catlow, John Corish, P. Jacobs, 1979 .