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Peter R Spackman

Showing results (1-10 of 25) with videos related to

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Iucrj|May 3, 2024
A solid solution to computational challenges presented by crystal structures exhibiting disorderPeter R Spackman
Journal of Computational Chemistry|June 14, 2021
Evaluation of density functional theory for a large and diverse set of organic and inorganic equilibrium structuresAmir Karton, Peter R Spackman
Journal of Chemical Theory and Computation|April 15, 2026
Elastic Tensors from Pairwise Energy Frameworks in Molecular CrystalsBlake I Armstrong, Peter R Spackman
The Journal of Chemical Physics|September 17, 2016
Basis set convergence of CCSD(T) equilibrium geometries using a large and diverse set of molecular structuresPeter R Spackman, Dylan Jayatilaka, Amir Karton
Scientific Reports|February 25, 2016
High Throughput Profiling of Molecular Shapes in CrystalsPeter R Spackman, Sajesh P Thomas, Dylan Jayatilaka
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
Communications Chemistry|December 2, 2024
The interplay between hydrogen bonds and stacking/T-type interactions in molecular cocrystalsAurora J Cruz-Cabeza, Peter R Spackman, Amy V Hall
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.
Chemical Science|July 7, 2023
CrystalClear: an open, modular protocol for predicting molecular crystal growth from solutionPeter R Spackman, Alvin J Walisinghe, Michael W Anderson, et al.
Pageof 3

Showing results (1-10 of 25) with videos related to

Sort By:
Pageof 3
Iucrj|May 3, 2024
A solid solution to computational challenges presented by crystal structures exhibiting disorderPeter R Spackman
Journal of Computational Chemistry|June 14, 2021
Evaluation of density functional theory for a large and diverse set of organic and inorganic equilibrium structuresAmir Karton, Peter R Spackman
Journal of Chemical Theory and Computation|April 15, 2026
Elastic Tensors from Pairwise Energy Frameworks in Molecular CrystalsBlake I Armstrong, Peter R Spackman
The Journal of Chemical Physics|September 17, 2016
Basis set convergence of CCSD(T) equilibrium geometries using a large and diverse set of molecular structuresPeter R Spackman, Dylan Jayatilaka, Amir Karton
Scientific Reports|February 25, 2016
High Throughput Profiling of Molecular Shapes in CrystalsPeter R Spackman, Sajesh P Thomas, Dylan Jayatilaka
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
Communications Chemistry|December 2, 2024
The interplay between hydrogen bonds and stacking/T-type interactions in molecular cocrystalsAurora J Cruz-Cabeza, Peter R Spackman, Amy V Hall
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.
Chemical Science|July 7, 2023
CrystalClear: an open, modular protocol for predicting molecular crystal growth from solutionPeter R Spackman, Alvin J Walisinghe, Michael W Anderson, et al.
Pageof 3