Please use this identifier to cite or link to this item: https://scholarbank.nus.edu.sg/handle/10635/121353
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dc.titleTOWARDS AN ACCURATE AND EFFICIENT METHOD FOR OBTAINING THE ENERGIES OF LARGE WATER CLUSTERS
dc.contributor.authorTAN PEIYU, AMELIA
dc.date.accessioned2015-10-31T18:00:30Z
dc.date.available2015-10-31T18:00:30Z
dc.date.issued2015-04-07
dc.identifier.citationTAN PEIYU, AMELIA (2015-04-07). TOWARDS AN ACCURATE AND EFFICIENT METHOD FOR OBTAINING THE ENERGIES OF LARGE WATER CLUSTERS. ScholarBank@NUS Repository.
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/121353
dc.description.abstractThe research lays the ground work necessary for the most accurate and detailed simulation of liquid bulk water ever undertaken. Water is ubiquitous on Earth and plays a pivotal role to all living systems. Its unusual and anomalous properties are what make water special in becoming less dense when it is cooled, which floats at the surface of the lake and sea, and not the bottom which is absolutely essential. This bizarre phenomenon prevents water from freezing at the bottom and hence avoids killing all organisms in it. More odd behaviour from water is observed in its particularly high boiling point for a simple tri-atomic and its very large value of dielectric constant. This large value has profound consequences in electrostatic interactions present in the proteins of living systems. Understanding these properties will help to unravel its mysteries. Different approaches and results will be discussed in fragmenting a large water cluster to obtain the total and interaction energies to accurately model bulk water. Note that this research is purely computational.
dc.language.isoen
dc.subjectAmelia, Tan Peiyu Amelia, Fragmentation, Water Cluster, Fragmentation of Water Cluster, Chemistry
dc.typeThesis
dc.contributor.departmentCHEMISTRY
dc.contributor.supervisorBETTENS, RYAN PHILLIP ANTHONY
dc.description.degreePh.D
dc.description.degreeconferredDOCTOR OF PHILOSOPHY
dc.identifier.isiutNOT_IN_WOS
Appears in Collections:Ph.D Theses (Open)

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