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Filtering by: Keyword potential energy surface Remove constraint Keyword: potential energy surface

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Ab initio Molecular Potential Energy Surface Constructionand Molecular Dynamics Simulation for Small Molecules

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Quantum Mechnical Study of Molecular Processes: From Gas Phase to Nano Phase

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Potential energy surface and applications to carbon dioxide-water, carbon dioxide clathrate hydrate and hydrated HCl system

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Year

20082
Spring 20181

School

Laney Graduate School3

Department / Specialty

Chemistry3

Degree

PhD2
M.S.1

Submission Type

Dissertation2
Master's Thesis1

Research Field

Chemistry, Physical3

Committee

Bowman, Joel M, Emory University2
Kindt, James, Emory University2
Bowman, Joel, Emory University1
Evangelista, Francesco, Emory University1
Heaven, Michael, Emory University1
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Keyword

potential energy surface[remove]3
molecular dynamics2
MULTIMODE1
QM/MD simulation1
SiC surface1
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