Browsing by Subject "Quantum chemistry -- Mathematics"

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Computational investigations of some molecular properties, their perturbation by external electric fields, and their use in quantitative structure-to-activity relationships

Sowlati Hashjin, Shahin (Halifax, N.S. : Saint Mary's University, 2013)

This thesis consists of three quantum chemical investigations. The first investigates the changes in the chemical bond in strong electric fields, a necessary first step for understanding the behaviour of a substrates or ...

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