Ivan D. Welsh

Automated simultaneous assignment of bond orders and formal charges

Jane R. Allison, Ivan D. Welsh, 2019, Journal of Cheminformatics.

CherryPicker: An Algorithm for the Automated Parametrization of Large Biomolecules for Molecular Simulation

Jane R. Allison, Ivan D. Welsh, 2019, Front. Chem..

Characterisation of N-(Octadecyl)-1,8-naphthalimide Monolayer Compression Using Molecular Dynamics and Experimental Approaches.

Jane R. Allison, Jonathan A. Kitchen, Ivan D. Welsh, 2019, Chemistry, an Asian journal.

Temperature-dependent Blueshifting of O-H Stretching Frequencies in Crystalline Cellulose Explained.

Ivan D. Welsh, C. Altaner, D. Crittenden, 2020, The journal of physical chemistry. B.

Surface Studies of the Nickel Electrode System Using a Special Transfer Cell

Ivan D. Welsh, D. Hercules, P. Sherwood, 1988 .

Accurate density functional theory description of binding constants and NMR chemical shifts of weakly interacting complexes of C60 with corannulene‐based molecular bowls

Ivan Welsh, Matthias Lein, Ivan D. Welsh, 2014, J. Comput. Chem..

Structural investigations of molecular solutes within nanostructured ionic liquids.

Ivan D. Welsh, C. C. Weber, T. Greaves, 2020, Physical chemistry chemical physics : PCCP.

New atoms-in-molecules dispersion models for use in ab initio derived force fields.

Ivan D. Welsh, D. Crittenden, 2021, The Journal of chemical physics.