Physics – Condensed Matter – Materials Science
A converse approach to the calculation of NMR shielding tensors
Ab initio energetics and kinetics study of H_2 and CH_4 in the SI Clathrate Hydrate
An ab-initio converse NMR approach for pseudopotentials
Analyzing the frequency shift of physiadsorbed CO2 in metal organic framework materials
Fcc breathing instability in BaBiO_3 from first principles
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