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Applications of renormalized coupled-cluster methods to molecular potential energy surfaces, spectroscopy, and reaction mechanisms

Applications of renormalized coupled-cluster methods to molecular potential energy surfaces, spectroscopy, and reaction mechanisms

McGuire, Michael J.

Text (2007)

Part of Electronic Theses & Dissertations

Harnessing the power of graphics processing units to accelerate computational chemistry

Harnessing the power of graphics processing units to accelerate computational chemistry

Text (2015)

Part of Electronic Theses & Dissertations

I. amhb : (anti)aromaticity-modulated hydrogen bonding. ii. evaluation of implicit solvation models for predicting hydrogen bond free energies

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

Single-reference coupled-cluster methods employing multi-reference perturbation theory

Single-reference coupled-cluster methods employing multi-reference perturbation theory

Lodriguito, Maricris

Text (2007)

Part of Electronic Theses & Dissertations

Bifurcation theory with applications to chemical reaction equations

Bifurcation theory with applications to chemical reaction equations

Waller, Nancy Theresa, 1950-

Text (1976)

Part of Electronic Theses & Dissertations

Advances and studies in computational chemistry

Advances and studies in computational chemistry

Young, David Carl

Text (1997)

Part of Electronic Theses & Dissertations