Dylan Jayatilaka

15PUBLICATIONS
37CO-AUTHORS
Nonlinear optics and spectroscopyAtomic and molecular physicsProgramming languagesStatistical mechanics in chemistryCheminformatics and quantitative structure-activity relationships
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Publications (15)

|Apr 01, 2023
The effects of experimentally obtained electron correlation and polarization on electron densities and exchange-correlation potentials.

Emanuel Hupf, Florian Kleemiss, Tobias Borrmann

|Jun 13, 2022
X-ray constrained wavefunctions based on Hirshfeld atoms. II. Reproducibility of electron densities in crystals of α-oxalic acid dihydrate.

Max L Davidson, Simon Grabowsky, Dylan Jayatilaka

|Jun 13, 2022
X-ray constrained wavefunctions based on Hirshfeld atoms. I. Method and review.

Max L Davidson, Simon Grabowsky, Dylan Jayatilaka

|Jun 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

|Jun 30, 2021
The advanced treatment of hydrogen bonding in quantum crystallography.

Lorraine A Malaspina, Alessandro Genoni, Dylan Jayatilaka

|Jun 24, 2021
Accurate crystal structures and chemical properties from NoSpherA2.

Florian Kleemiss, Oleg V Dolomanov, Michael Bodensteiner

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