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Journal of Materials Chemistry

High impact applications, properties and synthesis of exciting new materials



Journal of Materials Chemistry Review Articles:


Theoretical


This page presents review articles published in Journal of Materials Chemistry since 2005 in the area of theoretical chemistry

Journal of Materials Chemistry Review Articles

Journal of Materials Chemistry review articles, organised by subject

Role of computer simulations in structure prediction and structure determination: from molecular compounds to hybrid frameworks
Caroline Mellot-Draznieks, J. Mater. Chem., 2007, 17, 4348
DOI: 10.1039/b702516p


Terascale materials modelling on high performance system HPCx
M. Plummer, J. Hein, M. F. Guest, K. J. D'Mellow, I. J. Bush, K. Refson, G. J. Pringle, L. Smith and A. Trew, J. Mater. Chem., 2006, 16, 1885
DOI: 10.1039/b600182n


High-throughput techniques for the evaluation of fire retardancy
Charles A. Wilkie, Grace Chigwada, Jeffery W. Gilman, Sr.,Richard E. Lyon, J. Mater. Chem., 2006, 16, 2023
DOI: 10.1039/b514598h


The challenge of biominerals to simulations
J. H. Harding and D. M. Duffy, J. Mater. Chem., 2006, 16, 1105
DOI: 10.1039/b511650c


Using theory and modelling to investigate shape at the nanoscale
Amanda S. Barnard, J. Mater. Chem., 2006, 16, 813
DOI: 10.1039/b513095f


On the application of computer simulation techniques to anionic and cationic clays: A materials chemistry perspective
H. Chris Greenwell, William Jones, Peter V. Coveney and Stephen Stackhouse, J. Mater. Chem., 2006, 16, 708
DOI: 10.1039/b506932g


Multi-timescale Monte Carlo method for simulating electron transport in dye-sensitized nanocrystalline solar cells
Alison B. Walker, Laurence M. Peter, Michael J. Cass, Petra J. Cameron and Diego Martínez, J. Mater. Chem., 2005, 15, 2253
DOI: 10.1039/b419094g


Symmetry in the solid state; working beyond the space group
Andrew S. Wills, J. Mater. Chem., 2005, 15, 245
DOI: 10.1039/b404156a