Search filters

List of works by Peter R Spackman

A Universal Force Field for Materials, Periodic GFN-FF: Implementation and Examination

scientific article published on 04 November 2021

Basis set convergence of CCSD(T) equilibrium geometries using a large and diverse set of molecular structures

scientific article published in September 2016

Bridging Crystal Engineering and Drug Discovery by Utilizing Intermolecular Interactions and Molecular Shapes in Crystals

scientific article published on 19 August 2019

CrystalExplorer model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems

scientific article published on 4 July 2017

Evaluation of density functional theory for a large and diverse set of organic and inorganic equilibrium structures

scientific article published on 14 June 2021

Intermolecular interactions in molecular crystals: what's in a name?

scientific article published on 19 July 2017

Quantifying Mechanical Properties of Molecular Crystals: A Critical Overview of Experimental Elastic Tensors

scientific article published in 2021

Paulina is supported by:

About Paulina

Help