Browsing by Author Spackman, MA

Showing results 1 to 7 of 7
Publication DateTitleAuthor(s)Date Added
2006Anisotropic displacement parameters for H atoms using an ONIOM approachWhitten, Andrew; Spackman, MA1-May-2009
2004Charge density analysis of two polymorphs of antimony(III) oxideWhitten, AE; Dittrich, B; Spackman, MA; Turner, P; Brown, TC 2-May-2008
2006Dipole and quadrupole moments of molecules in crystals: A novel approach based on integration over Hirshfeld surfacesWhitten, Andrew; Radford, CJ; McKinnon, JJ; Spackman, MA15-May-2009
2006Effective molecular polarizabilities and crystal refractive indices estimated from x-ray diffraction dataWhitten, Andrew; Jayatilaka, D; Spackman, MA15-May-2009
2006Electric field-derived point charges to mimic the electrostatics in molecular crystalsWhitten, Andrew; McKinnon, JJ; Spackman, MA1-May-2009
2005Phase Measurement for Accurate Mapping of Chemical Bonds in Acentric Space GroupsSpackman, MA; Jiang, B; Groy, TL; He, H; Whitten, Andrew; Spence, JCH21-May-2009
2006Reassessment of Large Dipole Moment Enhancements in Crystals: A Detailed Experimental and Theoretical Charge Density Analysis of 2-Methyl-4-nitroanilineWhitten, Andrew; Turner, P; Klooster, WT; Piltz, RO; Spackman, MA1-May-2009