C. Richard A. Catlow

发表

Computer Modelling in Solid‐State Chemistry

Alexey A. Sokol, C. Richard A. Catlow, Said Hamad, 2008 .

Chapter 11:Computer Modelling in Solid-State Chemistry

Alexey A. Sokol, C. Richard A. Catlow, Devis Di Tommaso, 2007 .

Advances in Sustainable Catalysis: A Computational Perspective

C. Richard A. Catlow, Matthew G. Quesne, Fabrizio Silveri, 2019, Front. Chem..

Crystallography, materials and computation

C. Richard A. Catlow, 2014, IUCrJ.

Strategies for modelling of catalysts

C. Richard A. Catlow, 1988, J. Comput. Aided Mol. Des..

Computational and materials structural science

C. Richard A. Catlow, 2019, IUCrJ.

Automated procedure to determine the thermodynamic stability of a material and the range of chemical potentials necessary for its formation relative to competing phases and compounds

Aron Walsh, C. Richard A. Catlow, David O. Scanlon, 2014, Comput. Phys. Commun..

Introducing k-point parallelism into VASP

Ian J. Bush, C. Richard A. Catlow, Scott M. Woodley, 2012, Comput. Phys. Commun..

Computational modelling as a tool in structural science

C. Richard A. Catlow, C. Catlow, R. A. Catlow, 2020, IUCrJ.

The structural science of functional materials

C. Richard A. Catlow, C. Catlow, 2018, IUCrJ.

High-performance computing in the chemistry and physics of materials

C. Richard A. Catlow, Scott M. Woodley, S. Woodley, 2011, Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences.

Structure Refinement of Quaternary Spinel Oxides - Experiments and Modelling

C. Richard A. Catlow, Scott M. Woodley, Emilia Wolska, 2000, Comput. Chem..

Relationship of Crystal Structure to Interionic Interactions in the Lithium-manganese Spinel Oxides

C. Richard A. Catlow, Scott M. Woodley, Emilia Wolska, 2000, Comput. Chem..

Developments in the structural science of materials

C. Richard A. Catlow, 2017, IUCrJ.

Challenges in the structural science of materials

C. Richard A. Catlow, 2016, IUCrJ.

Zinc oxide: A case study in contemporary computational solid state chemistry

Alexey A. Sokol, C. Richard A. Catlow, Scott M. Woodley, 2008, J. Comput. Chem..

The relaxation of molecular crystal structures using a distributed multipole electrostatic model

David J. Willock, C. Richard A. Catlow, Sally L. Price, 1995, J. Comput. Chem..

Computational Evidence of Bubble ZnS Clusters

C. Richard A. Catlow, C. Catlow, Eleonora Spano, 2003 .

Synthesis of a Small‐Pore Microporous Material Using a Computationally Designed Template

Dewi W. Lewis, C. Richard A. Catlow, Gopinathan Sankar, 1997 .

The Prediction of Inorganic Crystal Framework Structures Using Excluded Regions within a Genetic Algorithm Approach.

Julian D. Gale, C. Richard A. Catlow, Scott M. Woodley, 2004 .

Experimental and computational study of the gas-sensor behaviour and surface chemistry of the solid-solution Cr2−xTixO3(x≤ 0.5)

C. Richard A. Catlow, David E. Williams, David E. Williams, 2002 .

Determining the Structure of Active Sites, Transition States and Intermediates in Heterogeneously Catalyzed Reactions

C. Richard A. Catlow, Gopinathan Sankar, John Meurig Thomas, 2003 .

De novo design of structure-directing agents for the synthesis of microporous solids

Dewi W. Lewis, David J. Willock, C. Richard A. Catlow, 1996, Nature.

Designing templates for the synthesis of microporous solids using de novo molecular design methods

Dewi W. Lewis, David J. Willock, C. Richard A. Catlow, 1997 .

Computer Simulation Studies of Strontium Titanate

C. Richard A. Catlow, Robert A. Jackson, C. Catlow, 1995 .

Calculation of Attachment Energies and Relative Volume Growth Rates As an Aid to Polymorph Prediction

Julian D. Gale, C. Richard A. Catlow, Sarah L. Price, 2005 .

Structural studies of high-area zeolitic adsorbents and catalysts by a combination of high-resolution X-ray powder diffraction and X-ray absorption spectroscopy

C. Richard A. Catlow, R. P. Townsend, Rodney P. Townsend, 1990 .

QM/MM modelling of the TS-1 catalyst using HPCx

Alexey A. Sokol, Ian J. Bush, Hubertus J. J. van Dam, 2006 .