MSU Libraries
Digital Repository
Home
About
Collections
Selected facets
Collection: Electronic Theses & Dissertations
×
Material Type: Theses
×
Content Type: Text
×
Subject: Computational chemistry
×
Language
English
5
Copyright Status
Creative Commons Licensed
3
In Copyright
2
Subject
Chemistry
1
Chemistry, Physical and theoretical
1
Computer science
1
Density functionals
1
Drug development
1
Drugs--Design
1
Electronic data processing--Distributed processing
1
Functional analysis
1
Heavy elements
1
Ion mobility mass spectrometry
1
Machine learning
1
Metabolites
1
Molecular dynamics
1
Parallel processing (Electronic computers)
1
Quantum electrodynamics
1
Spectrum analysis
1
Thermochemistry
2
Thermodynamic potentials
1
Thermodynamics
1
Search results
Showing 1 to 5 of 5 results
Results per page
20
50
100
Sort by
Most Relevant
Title (A-Z)
Title (Z-A)
Date (Newest)
Date (Oldest)
Most Recent
Least Relevant
Thermochemical and spectroscopic properties from main group to heavy element molecules : a theoretical perspective
Melin, Timothe
Text (2022)
Part of
Electronic Theses & Dissertations
Optimizing and improving the fidelity of reactive, polarizable molecular dynamics simulations on modern high performance computing architectures
O'Hearn, Kurt A.
Text (2022)
Part of
Electronic Theses & Dissertations
Application of free energy methods to drug discovery
Song, Lin, 1992-
Text (2020)
Part of
Electronic Theses & Dissertations
Computational thermochemistry for heavy elements and method development in quantum electron-nuclear dynamics
Aebersold, Lucas
Text (2021)
Part of
Electronic Theses & Dissertations
AI accelerated collisional cross section prediction for high throughput metabolite identification
Tanemura, Kiyoto Aramis
Text (2022)
Part of
Electronic Theses & Dissertations
First
1
(current)
Last