Judith A K Howard

5PUBLICATIONS
12CO-AUTHORS
Biomolecular modelling and designCondensed matter modelling and density functional theoryMetal cluster chemistryComputational chemistryTransition metal chemistry
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Publications (5)

|Dec 05, 2021
Co(NCS)2(abpt)2 and Ni(NCS)2(abpt)2 [abpt is 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole]: structural characterization of polymorphs A and B.

Helen E Mason, Judith A K Howard, Hazel A Sparkes

|Sep 16, 2021
Low temperature insights into the crystal and magnetic structure of a neutral radical ferromagnet.

Craig M Robertson, Stephen M Winter, Judith A K Howard

|Jun 24, 2021
Interplay between spin crossover and proton migration along short strong hydrogen bonds.

Verónica Jornet-Mollá, Carlos Giménez-Saiz, Laura Cañadillas-Delgado

|Jun 14, 2021
Resolving alternative organic crystal structures using density functional theory and NMR chemical shifts.

Cory M Widdifield, James D Farrell, Jason C Cole

|Aug 20, 2020
A Reversible Hydrogen-Bond Isomerization Triggered by an Abrupt Spin Crossover near Room Temperature.

Verónica Jornet-Mollá, Carlos Giménez-Saiz, Dmitry S Yufit

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