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Mark A Spackman

Showing results (11-20 of 55) with videos related to

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Chemical Communications (Cambridge, England)|January 26, 2008
Towards quantitative analysis of intermolecular interactions with Hirshfeld surfacesJoshua J McKinnon, Dylan Jayatilaka, Mark A Spackman
The 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 Spackman
Iucrj|October 30, 2023
A transferable quantum mechanical energy model for intermolecular interactions using a single empirical parameterPeter R Spackman, Mark A Spackman, Julian D Gale
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 Spackman
Acta 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 Mitchell
Physical Chemistry Chemical Physics : PCCP|October 15, 2010
Molecular dynamics simulations of structure and dynamics of organic molecular crystalsAlexandra Nemkevich, Hans-Beat Bürgi, Mark A Spackman, 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.
Chemical Communications (Cambridge, England)|December 24, 2015
'Quasi-isostructural polymorphism' in molecular crystals: inputs from interaction hierarchy and energy frameworksDhananjay Dey, Sajesh P Thomas, Mark A Spackman, et al.
Journal 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
<i>CrystalExplorer</i> 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.
Pageof 6

Showing results (11-20 of 55) with videos related to

Sort By:
Pageof 6
Chemical Communications (Cambridge, England)|January 26, 2008
Towards quantitative analysis of intermolecular interactions with Hirshfeld surfacesJoshua J McKinnon, Dylan Jayatilaka, Mark A Spackman
The 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 Spackman
Iucrj|October 30, 2023
A transferable quantum mechanical energy model for intermolecular interactions using a single empirical parameterPeter R Spackman, Mark A Spackman, Julian D Gale
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 Spackman
Acta 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 Mitchell
Physical Chemistry Chemical Physics : PCCP|October 15, 2010
Molecular dynamics simulations of structure and dynamics of organic molecular crystalsAlexandra Nemkevich, Hans-Beat Bürgi, Mark A Spackman, 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.
Chemical Communications (Cambridge, England)|December 24, 2015
'Quasi-isostructural polymorphism' in molecular crystals: inputs from interaction hierarchy and energy frameworksDhananjay Dey, Sajesh P Thomas, Mark A Spackman, et al.
Journal 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
<i>CrystalExplorer</i> 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.
Pageof 6