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Program of Study: Chemistry
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Keyword: Computational Chemistry
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Electronic Theses & Dissertations
5
Material Type
Theses
5
Language
English
5
Copyright Status
Creative Commons Licensed
2
In Copyright
3
Subject
Aromaticity (Chemistry)
1
Chemistry
1
Chemistry, Organic
1
Chemistry--Mathematics
1
Density functionals
1
Electron paramagnetic resonance
1
Homogeneous catalysis
1
Hydrogen bonding
1
Mathematical models
1
Molecular dynamics--Computer simulation
1
Molecular dynamics--Mathematical models
1
Nuclear magnetic resonance spectroscopy
1
Potential energy surfaces
1
Quantum chemistry
1
Solvation
1
Transition metal ions
1
Transition metals
1
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Simulating the chelate effect and the molecular dynamics of transition metal ions
Seitz, Anthony Joseph
Text (2020)
Part of
Electronic Theses & Dissertations
Application of machine learning to problems in computational chemistry and biology
Yu, Zhuoqin
Text (2019)
Part of
Electronic Theses & Dissertations
I. amhb : (anti)aromaticity-modulated hydrogen bonding. ii. evaluation of implicit solvation models for predicting hydrogen bond free energies
Kakeshpour, Tayeb
Text (2019)
Part of
Electronic Theses & Dissertations
Development and application of effective quantum chemical strategies
Patel, Prajay
Text (2019)
Part of
Electronic Theses & Dissertations
The effect of electronic spin on the reactivity of spin-coupled transition metal complexes
Kouzelos, John Andrew
Text (2015)
Part of
Electronic Theses & Dissertations
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