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dc.contributor.authorGamble, Stephanie Nicoleen_US
dc.date.accessioned2016-06-25T08:01:21Z
dc.date.available2016-06-25T08:01:21Z
dc.date.issued2016-06-24en_US
dc.identifier.othervt_gsexam:8423en_US
dc.identifier.urihttp://hdl.handle.net/10919/71454
dc.description.abstractWe approximate the vibrational energies of the symmetric and asymmetric stretches of the hydrogen bonds of the molecules H_3O_2^- and H_5O_2^+ by applying an improvement to the standard time-independent Born-Oppenheimer approximation. These two molecules are symmetric around a central hydrogen which participates in hydrogen bonding. Unlike the standard Born-Oppenheimer approximation, this approximation appropriately scales the hydrogen nuclei differently than the heavier oxygen nuclei. This results in significantly more accurate approximations for the stretching vibrational energies, which we compare to experimental measurements.en_US
dc.format.mediumETDen_US
dc.publisherVirginia Techen_US
dc.rightsThis Item is protected by copyright and/or related rights. Some uses of this Item may be deemed fair and permitted by law even without permission from the rights holder(s), or the rights holder(s) may have licensed the work for use under certain conditions. For other uses you need to obtain permission from the rights holder(s).en_US
dc.subjecthydrogen bonden_US
dc.subjectdouble wellen_US
dc.subjectvibrational energiesen_US
dc.titleVibrational Energies of the Hydrogen Bonds of H₃O₂⁻ and H₅O₂⁺en_US
dc.typeThesisen_US
dc.contributor.departmentMathematicsen_US
dc.description.degreeMaster of Scienceen_US
thesis.degree.nameMaster of Scienceen_US
thesis.degree.levelmastersen_US
thesis.degree.grantorVirginia Polytechnic Institute and State Universityen_US
thesis.degree.disciplineMathematicsen_US
dc.contributor.committeechairHagedorn, George A.en_US
dc.contributor.committeememberCrawford, T. Danielen_US
dc.contributor.committeememberValeyev, Eduard Faritovichen_US


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