Showing results (1-10 of 101) with videos related to
Sort By:
Pageof 11
Chemical Communications (Cambridge, England)|January 26, 2008
Towards quantitative analysis of intermolecular interactions with Hirshfeld surfacesJoshua J McKinnon, Dylan Jayatilaka, Mark A SpackmanThe Journal of Chemical Physics|November 15, 2006
Effective molecular polarizabilities and crystal refractive indices estimated from x-ray diffraction dataAndrew E Whitten, Dylan Jayatilaka, Mark A SpackmanJournal of Applied Crystallography|June 30, 2021
CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystalsPeter R Spackman, Michael J Turner, Joshua J McKinnon, et al.The Journal of Physical Chemistry Letters|August 15, 2015
Accurate and Efficient Model Energies for Exploring Intermolecular Interactions in Molecular CrystalsMichael J Turner, Simon Grabowsky, Dylan Jayatilaka, et al.Journal of Computational Chemistry|May 11, 2006
Electric field-derived point charges to mimic the electrostatics in molecular crystalsAndrew E Whitten, Joshua J McKinnon, Mark A SpackmanActa Crystallographica. Section B, Structural Science|November 10, 2004
Novel tools for visualizing and exploring intermolecular interactions in molecular crystalsJoshua J McKinnon, Mark A Spackman, Anthony S MitchellJournal of Chemical Theory and Computation|February 7, 2018
Accurate Lattice Energies for Molecular Crystals from Experimental Crystal StructuresSajesh P Thomas, Peter R Spackman, Dylan Jayatilaka, et al.Iucrj|September 22, 2017
CrystalExplorer model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systemsCampbell F Mackenzie, Peter R Spackman, Dylan Jayatilaka, et al.The Journal of Chemical Physics|February 25, 2006
Dipole and quadrupole moments of molecules in crystals: a novel approach based on integration over Hirshfeld surfacesAndrew E Whitten, Christopher J Radford, Joshua J McKinnon, et al.Physical Chemistry Chemical Physics : PCCP|August 13, 2009
Refractive indices for molecular crystals from the response of X-ray constrained Hartree-Fock wavefunctionsDylan Jayatilaka, Parthapratim Munshi, Michael J Turner, et al.Pageof 11