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Committee Member: Hunt, Katharine C.
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Electronic Theses & Dissertations
15
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Theses
15
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English
15
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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
Application of free energy methods to drug discovery
Song, Lin, 1992-
Text (2020)
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
Machine learning for pose selection
Pei, Jun (Graduate of Michigan State University)
Text (2020)
Part of
Electronic Theses & Dissertations
Multiscale modeling of nucleic acids in cellular environments
Yildirim, Asli
Text (2017)
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
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
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
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
Cobalt redox mediators for dye-sensitized solar cells
Raithel, Austin L.
Text (2022)
Part of
Electronic Theses & Dissertations
EXCITATION ENERGY TRANSFER IN INTACT PHYCOBILISOMES FROM CYANOBACTERIA
Sil, Sourav
Text (2024)
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
Spectroscopy of associating systems : leveraging molecular insight to improve thermodynamic modeling
Killian, William George
Text (2022)
Part of
Electronic Theses & Dissertations
Ion parametrization in water-ligand systems
Li, Zhen
Text (2023)
Part of
Electronic Theses & Dissertations
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