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Clive M Freeman
Clive M Freeman
Materials Design, Inc.
Verified email at materialsdesign.com - Homepage
Title
Cited by
Cited by
Year
Predicting the templating ability of organic additives for the synthesis of microporous materials
DW Lewis, CM Freeman, CRA Catlow
The Journal of Physical Chemistry 99 (28), 11194-11202, 1995
2121995
De novo prediction of inorganic structures developed through automated assembly of secondary building units (AASBU method)
C Mellot Draznieks, JM Newsam, AM Gorman, CM Freeman, G Férey
Angewandte Chemie International Edition 39 (13), 2270-2275, 2000
2012000
Molecular dynamics studies of hydrocarbon diffusion in zeolites
CRA Catlow, CM Freeman, B Vessal, SM Tomlinson, M Leslie
Journal of the Chemical Society, Faraday Transactions 87 (13), 1947-1950, 1991
1881991
Molecular mechanics study of oligomeric models for poly (ferrocenylsilanes) using the extensible systematic forcefield (ESFF)
S Barlow, AL Rohl, S Shi, CM Freeman, D O'Hare
Journal of the American Chemical Society 118 (32), 7578-7592, 1996
1721996
Computing the location and energetics of organic molecules in microporous adsorbents and catalysts: a hybrid approach applied to isometric butenes in a model zeolite
CM Freeman, CRA Catlow, JM Thomas, S Brode
Chemical physics letters 186 (2-3), 137-142, 1991
1341991
Computer-assisted screening of zeolite catalysts for the selective isopropylation of naphthalene
JA Horsley, JD Fellmann, EG Derouane, CM Freeman
Journal of Catalysis 147 (1), 231-240, 1994
1291994
Three dimensional pharmacophore modeling of human CYP17 inhibitors. Potential agents for prostate cancer therapy
OO Clement, CM Freeman, RW Hartmann, VD Handratta, TS Vasaitis, ...
Journal of medicinal chemistry 46 (12), 2345-2351, 2003
1192003
Interatomic potentials for oxides
CRA Catlow, CM Freeman, MS Islam, RA Jackson, M Leslie, ...
Philosophical Magazine A 58 (1), 123-141, 1988
1111988
Inorganic crystal structure prediction using simplified potentials and experimental unit cells: application to the polymorphs of titanium dioxide
CM Freeman, JM Newsam, SM Levine, CRA Catlow
Journal of Materials Chemistry 3 (5), 531-535, 1993
1061993
A computer modeling study of defect and dopant states in SnO2
CM Freeman, CRA Catlow
Journal of solid state chemistry 85 (1), 65-75, 1990
1061990
Recent studies using static simulation techniques
CRA Catlow, CM Freeman, RL Royle
Physica B+ C 131 (1-3), 1-12, 1985
921985
Bridging hydroxyl groups in faujasite: periodic vs cluster density functional calculations
JR Hill, CM Freeman, B Delley
The Journal of Physical Chemistry A 103 (19), 3772-3777, 1999
851999
Theoretical study of structural and electronic properties of H-silsesquioxanes
KH Xiang, R Pandey, UC Pernisz, C Freeman
The Journal of Physical Chemistry A 102 (44), 8704-8711, 1998
821998
H in α-Zr and in zirconium hydrides: solubility, effect on dimensional changes, and the role of defects
M Christensen, W Wolf, C Freeman, E Wimmer, RB Adamson, ...
Journal of Physics: Condensed Matter 27 (2), 025402, 2014
812014
Accuracy in powder diffraction II
JM Newsam, MW Deem, CM Freeman
NIST special publication 846, 80-91, 1992
701992
Effect of alloying elements on the properties of Zr and the Zr–H system
M Christensen, W Wolf, CM Freeman, E Wimmer, RB Adamson, ...
Journal of nuclear materials 445 (1-3), 241-250, 2014
642014
Prediction of template location via a combined Monte Carlo–simulated annealing approach
AP Stevens, AM Gorman, CM Freeman, PA Cox
Journal of the Chemical Society, Faraday Transactions 92 (12), 2065-2073, 1996
591996
Lost hydrogen bonds and buried surface area: rationalising stability in globular proteins
HJ Savage, CJ Elliott, CM Freeman, JL Finney
Journal of the Chemical Society, Faraday Transactions 89 (15), 2609-2617, 1993
591993
Diffusion of point defects, nucleation of dislocation loops, and effect of hydrogen in hcp-Zr: Ab initio and classical simulations
M Christensen, W Wolf, C Freeman, E Wimmer, RB Adamson, ...
Journal of Nuclear Materials 460, 82-96, 2015
572015
Use of force fields in materials modeling
JR Hill, CM Freeman, L Subramanian
Reviews in computational chemistry 16, 141-216, 2000
502000
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