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Committee Member: Levine, Benjamin G.
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Copyright Status: Creative Commons Licensed
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Program of Study: *
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Collection
Electronic Theses & Dissertations
11
Material Type
Theses
11
Language
English
11
Subject
Aromaticity (Chemistry)
1
Biradicals
1
Catalysis
1
Chemical bonds
1
Chemistry
1
Chemistry, Organic
2
Chemistry, Physical and theoretical
1
Chemistry--Mathematics
1
Cluster analysis
1
Computational chemistry
1
Dendritic crystals
1
Density functionals
1
Drug development
1
Drugs--Design
1
Electrolytes--Conductivity
1
HIV infections
1
Homogeneous catalysis
1
Hydrogen bonding
2
Indium compounds
1
Lithium ion batteries
1
Mathematical models
1
Membrane fusion
1
Metal ions
1
Molecular dynamics
1
Monte Carlo method
1
Nitrides
1
Nuclear magnetic resonance
1
Nuclear magnetic resonance spectroscopy
1
Peptides
1
Potential energy surfaces
1
Quantum chemistry
2
Quantum chemistry--Methodology
1
Quasimolecules
1
Semiconductor nanocrystals
1
Solid state batteries
1
Solvation
1
Thermodynamic potentials
1
Transition metal complexes
1
Wave functions
1
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VIBRONIC COHERENCE IN KETOCAROTENOIDS AND SEMICONDUCTOR QUANTUM DOTS
Thazhe Mecheri, Nila Mohan
Text (2023)
Part of
Electronic Theses & Dissertations
Application of free energy methods to drug discovery
Song, Lin, 1992-
Text (2020)
Part of
Electronic Theses & Dissertations
Understanding free-carrier accumulation in semiconductor nanomaterials : plasmonic behavior, charge storage energetics, and quantum confinement resilience of colloidal indium nitride nanocrystals
Liu, Zhihui
Text (2019)
Part of
Electronic Theses & Dissertations
Interfacial challenges of all-solid-state Li-ion batteries : multi-scale computational approach
Tian, Hong-Kang
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
Solid-state nuclear magnetic resonance studies of the structures, membrane locations, cholesterol contact, and membrane motions of membrane-associated HIV Fusion Peptide (HFP
Jia, Lihui (Scientist)
Text (2017)
Part of
Electronic Theses & Dissertations
An exploration of mid- to high-valent transition metal complexes for application to catalysis
Aldrich, Kelly E.
Text (2019)
Part of
Electronic Theses & Dissertations
Highly accurate potential energy surfaces for the He-H2 interacting system
Bradley, Janelle A.
Text (2018)
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 and application of effective quantum chemical strategies
Patel, Prajay
Text (2019)
Part of
Electronic Theses & Dissertations
Approaching exact quantum chemistry by stochastic wave function sampling and deterministic coupled-cluster computations
Deustua Stahr, Jorge Emiliano
Text (2020)
Part of
Electronic Theses & Dissertations
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