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Committee Member: Hunt, Katharine C.
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Collection
Electronic Theses & Dissertations
14
Material Type
Theses
14
Language
English
14
Copyright Status
Creative Commons Licensed
4
In Copyright
10
Subject
Biochemistry
1
Chemical engineering
1
Chemistry
2
Chemistry, Inorganic
1
Chemistry, Physical and theoretical
3
Chemistry, Physical and theoretical--Research
1
Chemistry--Computer simulation
2
Computational chemistry
1
Cytology--Computer simulation
1
DNA--Computer simulation
1
Drug development
1
Drugs--Design
1
Fluorine compounds
1
Ligand binding (Biochemistry)
1
Ligands (Biochemistry)
1
Machine learning
1
Materials science
1
Mathematical models
2
Methodology
1
Molecular dynamics
2
Molecular dynamics--Mathematical models
1
Nanocrystals
1
Nanoscience
1
Nanosilicon
1
Organoselenium compounds
1
Oxygen compounds
1
Photochemistry--Research
1
Potential energy surfaces
1
Potential theory (Mathematics)
1
Protein binding
1
Protein folding--Computer simulation
1
Quantum chemistry
1
Silicon crystals
1
Solvation
1
Thermochemistry
1
Thermodynamic potentials
1
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Prediction of structural and thermochemical properties : computational strategies for small molecules to periodic systems
Alsunaidi, Zainab H. A.
Text (2017)
Part of
Electronic Theses & Dissertations
Multiscale modeling of nucleic acids in cellular environments
Yildirim, Asli
Text (2017)
Part of
Electronic Theses & Dissertations
Machine learning for pose selection
Pei, Jun (Graduate of Michigan State University)
Text (2020)
Part of
Electronic Theses & Dissertations
Conformational sampling of binding pocket and predicting binding free energies
Bansal, Nupur
Text (2018)
Part of
Electronic Theses & Dissertations
Development and applications of coupled-cluster methods and potential energy surface extrapolation schemes
Lutz, Jesse J.
Text (2011)
Part of
Electronic Theses & Dissertations
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
A novel algorithm of solvation free energy calculation : the KECSA-movable type implicit solvation model (KMTISM)
Wang, Ting (M.S. in Chemistry)
Text (2015)
Part of
Electronic Theses & Dissertations
Application of free energy methods to drug discovery
Song, Lin, 1992-
Text (2020)
Part of
Electronic Theses & Dissertations
COBALT REDOX MEDIATORS FOR DYE-SENSITIZED SOLAR CELLS
Raithel, Austin L.
Text (2022)
Part of
Electronic Theses & Dissertations
Deterministic and Semi-Stochastic CC(P;Q) Approaches : New Developments and Applications to Spectroscopy and Photochemistry
Yuwono, Stephen Haniel
Text (2022)
Part of
Electronic Theses & Dissertations
Ab initio molecular dynamics : applications to defective silicon nanocrystals and developments toward dense manifold systems
Peng, Wei-Tao
Text (2019)
Part of
Electronic Theses & Dissertations
SPECTROSCOPY OF ASSOCIATING SYSTEMS : LEVERAGING MOLECULAR INSIGHT TO IMPROVE THERMODYNAMIC MODELING
Killian, William George
Text (2022)
Part of
Electronic Theses & Dissertations
Investigation of Oxygen Evolution Reaction Catalysts : Electronic Properties of Cr substituted Cobalt (II, III) Oxide
Gao, Guangyao
Text (2023)
Part of
Electronic Theses & Dissertations
Ion parametrization in water-ligand systems
Li, Zhen
Text (2023)
Part of
Electronic Theses & Dissertations
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