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Energy decomposition methods for the intermolecular interaction energy in ionic liquids

thesis
posted on 2017-07-04, 06:57 authored by SAMUEL YIK SING TAN
Accurate methods to calculate the intermolecular energy for ionic liquids and neutral complexes were tested and developed, with a focus on generality and practicality.

History

Campus location

Australia

Principal supervisor

Katya Pas

Additional supervisor 1

Todd Oliynyk

Year of Award

2017

Department, School or Centre

Chemistry

Course

Doctor of Philosophy

Degree Type

Doctorate

Faculty

Faculty of Science

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    Categories

    Keywords

    MP2SAPTEFPIonic liquidsS22S66IL174SRS-MP2intermolecular interactionswavefunction methodsQuantum ChemistryComputational Chemistry

    Licence

    In Copyright

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