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Collection: Electronic Theses & Dissertations
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Subject: Quantum chemistry
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Theses
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Atomic orbitals
1
Atomic structure--Mathematical models
1
Biradicals
1
Chemical bonds
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Chemistry, Physical and theoretical
1
Chemistry, Physical and theoretical--Research
1
Chemistry--Mathematics
2
Density functionals
1
Electron configuration
1
Electronic structure
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Electrons
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Excited state chemistry
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Graphics processing units
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High performance computing
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Homogeneous catalysis
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Ions
1
Lithium compounds
1
Machine learning
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Many-body problem--Approximation methods
2
Many-body problem--Numerical solutions
1
Molecular dynamics
4
Nitrides
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Perturbation (Mathematics)
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Perturbation (Quantum dynamics)
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Photochemistry
2
Potential energy surfaces
4
Quadrupole moments
1
Spectrum analysis
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Transition metal complexes
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Transition metals
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Wave functions
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Wave mechanics
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Wave packets
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Wavelets (Mathematics)
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Interaction-induced properties and perturbation theory
Juanós i Timoneda, Jesús
Text (1986)
Part of
Electronic Theses & Dissertations
Coupled-cluster and equation-of-motion coupled-cluster theories : applications to photochemistry and catalysis and algorithmic advances
Hansen, Jared A.
Text (2015)
Part of
Electronic Theses & Dissertations
Single-reference coupled-cluster methods employing multi-reference perturbation theory
Lodriguito, Maricris
Text (2007)
Part of
Electronic Theses & Dissertations
Addressing wave function discontinuities at conical intersections and novel charge transfer processes in nanomaterials
Meek, Garrett A.
Text (2016)
Part of
Electronic Theses & Dissertations
The electronic structure of first-row negative ions and transition metal atoms
Botch, Beatrice Helen
Text (1981)
Part of
Electronic Theses & Dissertations
Harnessing the power of graphics processing units to accelerate computational chemistry
Miao, Yipu
Text (2015)
Part of
Electronic Theses & Dissertations
New coupled-cluster methods for molecular potential energy surfaces
Pimienta, Ian Sedrick O.
Text (2003)
Part of
Electronic Theses & Dissertations
New alternatives for electronic structure theory : the application of two-body cluster expansions in high accuracy AB initio calculations
Fan, Peng-Dong
Text (2005)
Part of
Electronic Theses & Dissertations
Dynamic-absorption contours : analysis of wave-packet motion on ground-state and excited-state potential energy surfaces
Golovich, Elizabeth Carson
Text (2005)
Part of
Electronic Theses & Dissertations
Wavelet scattering and graph representations for atomic structures
Brumwell, Xavier
Text (2021)
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
The quadrupole moments of the first and second row homonuclear diatomics and the spectroscopic properties of metal lithides
Lawson, Daniel B.
Text (1997)
Part of
Electronic Theses & Dissertations
Computational developments for ab initio many-body theory
Lietz, Justin Gage
Text (2019)
Part of
Electronic Theses & Dissertations
Graphical processing unit acceleration and development of multireference quantum chemical methods
Fales, Bryan Scott
Text (2017)
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
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
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