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Journal of Chemical Theory and Computation
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November 4, 2021
A Universal Force Field for Materials, Periodic GFN-FF: Implementation and Examination
Julian D Gale, Luc M LeBlanc, Peter R Spackman, et al.
Faraday Discussions
|
July 20, 2017
Intermolecular interactions in molecular crystals: what's in a name?
Alison J Edwards, Campbell F Mackenzie, Peter R Spackman, et al.
Angewandte Chemie (International Ed. in English)
|
October 19, 2021
Quantifying Mechanical Properties of Molecular Crystals: A Critical Overview of Experimental Elastic Tensors
Peter R Spackman, Arnaud Grosjean, Sajesh P Thomas, et al.
Angewandte Chemie (International Ed. in English)
|
November 30, 2021
Global Analysis of the Mechanical Properties of Organic Crystals
Durga Prasad Karothu, Jad Mahmoud Halabi, Ejaz Ahmed, et al.
Chemical Communications (Cambridge, England)
|
November 11, 2022
Targeted design of porous materials without strong, directional interactions
Megan O'Shaughnessy, Peter R Spackman, Marc A Little, et al.
Chemical Science
|
February 15, 2020
Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights
Peng Cui, David P McMahon, Peter R Spackman, et al.
Communications Physics
|
July 7, 2025
Disentangling autoencoders and spherical harmonics for efficient shape classification in crystal growth simulations
Jaehoon Cha, Steven Tendyra, Alvin J Walisinghe, et al.
Inorganic Chemistry
|
August 7, 2023
Multistate Switching of Some Ruthenium Alkynyl and Vinyl Spiropyran Complexes
David Jago, Mark C Walkey, Emma E Gaschk, et al.
Journal of Applied Crystallography
|
June 30, 2021
<i>CrystalExplorer</i>: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals
Peter R Spackman, Michael J Turner, Joshua J McKinnon, et al.
Dalton Transactions (Cambridge, England : 2003)
|
October 2, 2023
Functionalised organometallic photoswitches containing dihydropyrene units
Angus A Gillespie, Max Roemer, David Jago, et al.
Page
of 3
Search research articles
Search
Showing results (11-20 of 25) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
November 4, 2021
A Universal Force Field for Materials, Periodic GFN-FF: Implementation and Examination
Julian D Gale, Luc M LeBlanc, Peter R Spackman, et al.
Faraday Discussions
|
July 20, 2017
Intermolecular interactions in molecular crystals: what's in a name?
Alison J Edwards, Campbell F Mackenzie, Peter R Spackman, et al.
Angewandte Chemie (International Ed. in English)
|
October 19, 2021
Quantifying Mechanical Properties of Molecular Crystals: A Critical Overview of Experimental Elastic Tensors
Peter R Spackman, Arnaud Grosjean, Sajesh P Thomas, et al.
Angewandte Chemie (International Ed. in English)
|
November 30, 2021
Global Analysis of the Mechanical Properties of Organic Crystals
Durga Prasad Karothu, Jad Mahmoud Halabi, Ejaz Ahmed, et al.
Chemical Communications (Cambridge, England)
|
November 11, 2022
Targeted design of porous materials without strong, directional interactions
Megan O'Shaughnessy, Peter R Spackman, Marc A Little, et al.
Chemical Science
|
February 15, 2020
Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights
Peng Cui, David P McMahon, Peter R Spackman, et al.
Communications Physics
|
July 7, 2025
Disentangling autoencoders and spherical harmonics for efficient shape classification in crystal growth simulations
Jaehoon Cha, Steven Tendyra, Alvin J Walisinghe, et al.
Inorganic Chemistry
|
August 7, 2023
Multistate Switching of Some Ruthenium Alkynyl and Vinyl Spiropyran Complexes
David Jago, Mark C Walkey, Emma E Gaschk, et al.
Journal of Applied Crystallography
|
June 30, 2021
<i>CrystalExplorer</i>: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals
Peter R Spackman, Michael J Turner, Joshua J McKinnon, et al.
Dalton Transactions (Cambridge, England : 2003)
|
October 2, 2023
Functionalised organometallic photoswitches containing dihydropyrene units
Angus A Gillespie, Max Roemer, David Jago, et al.
Page
of 3