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Program of Study: Chemistry - Doctor of Philosophy
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Subject: Molecular dynamics
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Electronic Theses & Dissertations
4
Material Type
Theses
4
Language
English
4
Copyright Status
Creative Commons Licensed
2
In Copyright
2
Subject
Biradicals
1
Chemical bonds
1
Molecular dynamics--Simulation methods
1
Nanoscience
1
Nitrides
1
Photochemistry--Research
1
Proteins
1
Quantum chemistry
2
Wave functions
1
Wave mechanics
1
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Molecular photochemistry at the nanoscale and developments towards modeling nonadiabatic dynamics on many electronic states
Esch, Michael Paul
Text (2020)
Part of
Electronic Theses & Dissertations
Addressing wave function discontinuities at conical intersections and novel charge transfer processes in nanomaterials
Meek, Garrett A.
Text (2016)
Part of
Electronic Theses & Dissertations
Assessment of equation-of-motion coupled-cluster methods with approximate treatments of higher-order excitations and development of novel schemes for accurate calculations of diradical electronic spectra and bond breaking
Ajala, Adeayo Olayinka
Text (2017)
Part of
Electronic Theses & Dissertations
Development of molecular dynamics force field of YOPRO-1 and deep learning models for protein classification
Jin, Chi
Text (2019)
Part of
Electronic Theses & Dissertations
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