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Title: First principles simulations of hydrogen-bonded and hydrogen storage systems
Author: Riley, Duncan John
ISNI:       0000 0001 3518 9390
Awarding Body: University of Salford
Current Institution: University of Salford
Date of Award: 2007
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Density Functional Theory (DFT) has been implemented, within an ab-initio pseudopotential framework, in simulations of materials involving weak intermolecular interactions.
Supervisor: Not available Sponsor: Not available
Qualification Name: Thesis (Ph.D.) Qualification Level: Doctoral
EThOS ID:  DOI: Not available