WMD-group/sulfur-model
Equilibrium modelling of sulfur vapours (S2 - S8)
A collection of structures, force constants and phonon data obtained from first-principles calculations
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Equilibrium modelling of sulfur vapours (S2 - S8)
SPIRO-OMeTAD and twelve methoxy isomers and polymethoxy derivatives; Gaussian run files for Delta SCF
Rapid volume optimisation (RVO) tool
First there was POTATO; now we have reconstituted SMASH