CrystalExplorer (Version 3.1) SK Wolff, DJ Grimwood, JJ McKinnon, MJ Turner, D Jayatilaka, ... University of Western Australia, 2012 | 3486 | 2012 |
CrystalExplorer17 MJ Turner, JJ McKinnon, SK Wolff, DJ Grimwood, PR Spackman, ... The University of Western Australia 108, 76730, 2017 | 3116* | 2017 |
CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals PR Spackman, MJ Turner, JJ McKinnon, SK Wolff, DJ Grimwood, ... Journal of Applied Crystallography 54 (3), 1006-1011, 2021 | 2922 | 2021 |
Workshop on Computational Chemistry in the 21st Century: Applications and Methods-Tonto: A Fortran Based Object-Oriented System for Quantum Chemistry and Crystallography D Jayatilaka, DJ Grimwood Lecture Notes in Computer Science 2660, 142-151, 2003 | 286* | 2003 |
Wavefunctions derived from experiment. I. Motivation and theory D Jayatilaka, DJ Grimwood Acta Crystallographica Section A: Foundations of Crystallography 57 (1), 76-86, 2001 | 234 | 2001 |
TONTO–A System for Computational Chemistry D Jayatilaka, DJ Grimwood, A Lee, A Lemay, AJ Russel, C Taylor, ... The University of Western Australia, Nedlands, Australia, 2005 | 194 | 2005 |
CrystalExplorer17 (2017) MJ Turner, JJ McKinnon, SK Wolff, DJ Grimwood, PR Spackman, ... University of Western Australia 8, 2017 | 144 | 2017 |
CrystalExplorer (Version 17.5) MJ Turner, JJ McKinnon, SK Wolff, DJ Grimwood, PR Spackman, ... University of Western Australia, 2017 | 108 | 2017 |
CrystalExplorer: a tool for displaying Hirshfeld surfaces and visualising intermolecular interactions in molecular crystals D Jayatilaka, SK Wolff, DJ Grimwood, JJ McKinnon, MA Spackman Acta Crystallographica Section A 62, s90-s90, 2006 | 105 | 2006 |
Wavefunctions derived from experiment. II. A wavefunction for oxalic acid dihydrate DJ Grimwood, D Jayatilaka Acta Crystallographica Section A: Foundations of Crystallography 57 (1), 87-100, 2001 | 105 | 2001 |
Wave functions derived from experiment. V. Investigation of electron densities, electrostatic potentials, and electron localization functions for noncentrosymmetric crystals DJ Grimwood, IAN Bytheway, D Jayatilaka Journal of computational chemistry 24 (4), 470-483, 2003 | 73 | 2003 |
Wavefunctions derived from experiment. IV. Investigation of the crystal environment of ammonia I Bytheway, DJ Grimwood, BN Figgis, GS Chandler, D Jayatilaka Acta Crystallographica Section A: Foundations of Crystallography 58 (3), 244-251, 2002 | 65 | 2002 |
Wavefunctions derived from experiment. III. Topological analysis of crystal fragments I Bytheway, DJ Grimwood, D Jayatilaka Acta Crystallographica Section A: Foundations of Crystallography 58 (3), 232-243, 2002 | 63 | 2002 |
Electron localization functions obtained from x-ray constrained Hartree–Fock wavefunctions for molecular crystals of ammonia, urea and alloxan D Jayatilaka, D Grimwood Acta Crystallographica Section A: Foundations of Crystallography 60 (2), 111-119, 2004 | 55 | 2004 |
Computational Science–ICCS 2003 D Jayatilaka, DJ Grimwood Lecture Notes in Computer Science 2660, 142-151, 2003 | 26 | 2003 |
HPC technology update C Harris, G Beckett, C Bording, D Carey, A Chew, A Elwell, ... Technical report, Pawsey Supercomputing Centre, 2015 | 2 | 2015 |
Cascade compilation revisited T Stern, D Grimwood ACM SIGPLAN Fortran Forum 21 (1), 12-24, 2002 | 2 | 2002 |
Evaluating Parallel Programming Tools to Support Code Development for Accelerators R Hartman-Baker, V Maxville, D Grimwood Procedia Computer Science 29, 2076-2079, 2014 | | 2014 |
Constrained hartree-fock wavefunctions using experimental x-ray diffraction data D Grimwood | | 2002 |