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You searched for +publisher:"Georgia Tech" +contributor:("Sherrill, C. David"). Showing records 1 – 20 of 20 total matches.

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Georgia Tech

1. Tomita, Yu. Numerical and analytical studies of quantum error correction.

Degree: PhD, Computational Science and Engineering, 2014, Georgia Tech

 A reliable large-scale quantum computer, if built, can solve many real-life problems exponentially faster than the existing digital devices. The biggest obstacle to building one… (more)

Subjects/Keywords: Quantum computation

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APA (6th Edition):

Tomita, Y. (2014). Numerical and analytical studies of quantum error correction. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/53468

Chicago Manual of Style (16th Edition):

Tomita, Yu. “Numerical and analytical studies of quantum error correction.” 2014. Doctoral Dissertation, Georgia Tech. Accessed September 20, 2019. http://hdl.handle.net/1853/53468.

MLA Handbook (7th Edition):

Tomita, Yu. “Numerical and analytical studies of quantum error correction.” 2014. Web. 20 Sep 2019.

Vancouver:

Tomita Y. Numerical and analytical studies of quantum error correction. [Internet] [Doctoral dissertation]. Georgia Tech; 2014. [cited 2019 Sep 20]. Available from: http://hdl.handle.net/1853/53468.

Council of Science Editors:

Tomita Y. Numerical and analytical studies of quantum error correction. [Doctoral Dissertation]. Georgia Tech; 2014. Available from: http://hdl.handle.net/1853/53468


Georgia Tech

2. Parrish, Robert M. Rank reduction methods in electronic structure theory.

Degree: PhD, Chemistry and Biochemistry, 2015, Georgia Tech

 Quantum chemistry is plagued by the presence of high-rank quantities, stemming from the N-body nature of the electronic Schrödinger equation. These high-rank quantities present a… (more)

Subjects/Keywords: Rank reduction; Electronic structure theory; Tensor decomposition; Intermolecular interactions

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APA (6th Edition):

Parrish, R. M. (2015). Rank reduction methods in electronic structure theory. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/53850

Chicago Manual of Style (16th Edition):

Parrish, Robert M. “Rank reduction methods in electronic structure theory.” 2015. Doctoral Dissertation, Georgia Tech. Accessed September 20, 2019. http://hdl.handle.net/1853/53850.

MLA Handbook (7th Edition):

Parrish, Robert M. “Rank reduction methods in electronic structure theory.” 2015. Web. 20 Sep 2019.

Vancouver:

Parrish RM. Rank reduction methods in electronic structure theory. [Internet] [Doctoral dissertation]. Georgia Tech; 2015. [cited 2019 Sep 20]. Available from: http://hdl.handle.net/1853/53850.

Council of Science Editors:

Parrish RM. Rank reduction methods in electronic structure theory. [Doctoral Dissertation]. Georgia Tech; 2015. Available from: http://hdl.handle.net/1853/53850


Georgia Tech

3. Trout, Colin. Methods for universal fault-tolerant quantum computation in small devices.

Degree: PhD, Chemistry and Biochemistry, 2018, Georgia Tech

 A reliable large-scale quantum computer would be able to solve problems in physics and chemistry exponentially faster than current classical processors. A large-scale quantum device… (more)

Subjects/Keywords: Quantum error correction

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APA (6th Edition):

Trout, C. (2018). Methods for universal fault-tolerant quantum computation in small devices. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/59837

Chicago Manual of Style (16th Edition):

Trout, Colin. “Methods for universal fault-tolerant quantum computation in small devices.” 2018. Doctoral Dissertation, Georgia Tech. Accessed September 20, 2019. http://hdl.handle.net/1853/59837.

MLA Handbook (7th Edition):

Trout, Colin. “Methods for universal fault-tolerant quantum computation in small devices.” 2018. Web. 20 Sep 2019.

Vancouver:

Trout C. Methods for universal fault-tolerant quantum computation in small devices. [Internet] [Doctoral dissertation]. Georgia Tech; 2018. [cited 2019 Sep 20]. Available from: http://hdl.handle.net/1853/59837.

Council of Science Editors:

Trout C. Methods for universal fault-tolerant quantum computation in small devices. [Doctoral Dissertation]. Georgia Tech; 2018. Available from: http://hdl.handle.net/1853/59837


Georgia Tech

4. Shiring, Stephen B. A computational investigation into the third-order nonlinear optical properties of cyanine-like polymethines for all-optical switching applications.

Degree: PhD, Chemistry and Biochemistry, 2017, Georgia Tech

 Cyanine-like polymethines have recently attracted renewed attention for their potential as materials to realize all-optical switching applications by demonstrating large real and small imaginary parts… (more)

Subjects/Keywords: Cyanines; Polymethines; Computational; Theoretical; All-optical switching; Nonlinear optics; Charge-transfer compounds

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APA (6th Edition):

Shiring, S. B. (2017). A computational investigation into the third-order nonlinear optical properties of cyanine-like polymethines for all-optical switching applications. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/60164

Chicago Manual of Style (16th Edition):

Shiring, Stephen B. “A computational investigation into the third-order nonlinear optical properties of cyanine-like polymethines for all-optical switching applications.” 2017. Doctoral Dissertation, Georgia Tech. Accessed September 20, 2019. http://hdl.handle.net/1853/60164.

MLA Handbook (7th Edition):

Shiring, Stephen B. “A computational investigation into the third-order nonlinear optical properties of cyanine-like polymethines for all-optical switching applications.” 2017. Web. 20 Sep 2019.

Vancouver:

Shiring SB. A computational investigation into the third-order nonlinear optical properties of cyanine-like polymethines for all-optical switching applications. [Internet] [Doctoral dissertation]. Georgia Tech; 2017. [cited 2019 Sep 20]. Available from: http://hdl.handle.net/1853/60164.

Council of Science Editors:

Shiring SB. A computational investigation into the third-order nonlinear optical properties of cyanine-like polymethines for all-optical switching applications. [Doctoral Dissertation]. Georgia Tech; 2017. Available from: http://hdl.handle.net/1853/60164


Georgia Tech

5. Bakr, Brandon Wallace. Symmetry-adapted perturbation theory for organocatalysis.

Degree: PhD, Chemistry and Biochemistry, 2018, Georgia Tech

 Functional-group and atomic partitions of symmetry-adapted perturbation theory (SAPT) were used, for the first time, to analyze non-covalent interactions thought to influence the selectivity of… (more)

Subjects/Keywords: Symmetry-adapted perturbation theory; Organocatalysis

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APA (6th Edition):

Bakr, B. W. (2018). Symmetry-adapted perturbation theory for organocatalysis. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/60207

Chicago Manual of Style (16th Edition):

Bakr, Brandon Wallace. “Symmetry-adapted perturbation theory for organocatalysis.” 2018. Doctoral Dissertation, Georgia Tech. Accessed September 20, 2019. http://hdl.handle.net/1853/60207.

MLA Handbook (7th Edition):

Bakr, Brandon Wallace. “Symmetry-adapted perturbation theory for organocatalysis.” 2018. Web. 20 Sep 2019.

Vancouver:

Bakr BW. Symmetry-adapted perturbation theory for organocatalysis. [Internet] [Doctoral dissertation]. Georgia Tech; 2018. [cited 2019 Sep 20]. Available from: http://hdl.handle.net/1853/60207.

Council of Science Editors:

Bakr BW. Symmetry-adapted perturbation theory for organocatalysis. [Doctoral Dissertation]. Georgia Tech; 2018. Available from: http://hdl.handle.net/1853/60207


Georgia Tech

6. Ringer, Ashley L. From small to big: understanding noncovalent interactions in chemical systems from quantum mechanical models.

Degree: PhD, Chemistry and Biochemistry, 2009, Georgia Tech

 Noncovalent interactions in complex chemical systems are examined by considering model systems which capture the essential physics of the interactions and applying correlated electronic structure… (more)

Subjects/Keywords: Computational chemistry; Noncovalent interactions; Molecular recognition; Perturbation (Quantum dynamics); Quantum theory; Electrostatics; Electronic structure; Potential energy surfaces

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APA (6th Edition):

Ringer, A. L. (2009). From small to big: understanding noncovalent interactions in chemical systems from quantum mechanical models. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/28089

Chicago Manual of Style (16th Edition):

Ringer, Ashley L. “From small to big: understanding noncovalent interactions in chemical systems from quantum mechanical models.” 2009. Doctoral Dissertation, Georgia Tech. Accessed September 20, 2019. http://hdl.handle.net/1853/28089.

MLA Handbook (7th Edition):

Ringer, Ashley L. “From small to big: understanding noncovalent interactions in chemical systems from quantum mechanical models.” 2009. Web. 20 Sep 2019.

Vancouver:

Ringer AL. From small to big: understanding noncovalent interactions in chemical systems from quantum mechanical models. [Internet] [Doctoral dissertation]. Georgia Tech; 2009. [cited 2019 Sep 20]. Available from: http://hdl.handle.net/1853/28089.

Council of Science Editors:

Ringer AL. From small to big: understanding noncovalent interactions in chemical systems from quantum mechanical models. [Doctoral Dissertation]. Georgia Tech; 2009. Available from: http://hdl.handle.net/1853/28089

7. Arnstein, Stephen A. Pi-pi to full ci: cation dimers and substituent effects in noncovalent interactions.

Degree: MS, Chemistry and Biochemistry, 2009, Georgia Tech

 The following thesis focuses on two areas of chemistry, pi-pi interactions and radical cation dimers. Approximations to the exact solution to the Schrodinger equation are… (more)

Subjects/Keywords: EOM-IP; Benzene dimer; Ab initio; Pi electron theory; Dimers; Cations

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APA (6th Edition):

Arnstein, S. A. (2009). Pi-pi to full ci: cation dimers and substituent effects in noncovalent interactions. (Masters Thesis). Georgia Tech. Retrieved from http://hdl.handle.net/1853/28269

Chicago Manual of Style (16th Edition):

Arnstein, Stephen A. “Pi-pi to full ci: cation dimers and substituent effects in noncovalent interactions.” 2009. Masters Thesis, Georgia Tech. Accessed September 20, 2019. http://hdl.handle.net/1853/28269.

MLA Handbook (7th Edition):

Arnstein, Stephen A. “Pi-pi to full ci: cation dimers and substituent effects in noncovalent interactions.” 2009. Web. 20 Sep 2019.

Vancouver:

Arnstein SA. Pi-pi to full ci: cation dimers and substituent effects in noncovalent interactions. [Internet] [Masters thesis]. Georgia Tech; 2009. [cited 2019 Sep 20]. Available from: http://hdl.handle.net/1853/28269.

Council of Science Editors:

Arnstein SA. Pi-pi to full ci: cation dimers and substituent effects in noncovalent interactions. [Masters Thesis]. Georgia Tech; 2009. Available from: http://hdl.handle.net/1853/28269

8. Fonari, Alexandr. Theoretical description of charge-transport and charge-generation parameters in single-component and bimolecular charge-transfer organic semiconductors.

Degree: PhD, Chemistry and Biochemistry, 2015, Georgia Tech

 In this dissertation, we employ a number of computational methods, including Ab Initio, Density Functional Theory, and Molecular Dynamics simulations to investigate key microscopic parameters… (more)

Subjects/Keywords: Electron-phonon coupling; Charge transport; Organic molecular crystals; Electronic coupling; Organic electronics; Charge-carrier mobilities; Charge transfer; Molecular crystals; Organic compounds; Organic semiconductors; Electron-phonon interactions

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APA (6th Edition):

Fonari, A. (2015). Theoretical description of charge-transport and charge-generation parameters in single-component and bimolecular charge-transfer organic semiconductors. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/54323

Chicago Manual of Style (16th Edition):

Fonari, Alexandr. “Theoretical description of charge-transport and charge-generation parameters in single-component and bimolecular charge-transfer organic semiconductors.” 2015. Doctoral Dissertation, Georgia Tech. Accessed September 20, 2019. http://hdl.handle.net/1853/54323.

MLA Handbook (7th Edition):

Fonari, Alexandr. “Theoretical description of charge-transport and charge-generation parameters in single-component and bimolecular charge-transfer organic semiconductors.” 2015. Web. 20 Sep 2019.

Vancouver:

Fonari A. Theoretical description of charge-transport and charge-generation parameters in single-component and bimolecular charge-transfer organic semiconductors. [Internet] [Doctoral dissertation]. Georgia Tech; 2015. [cited 2019 Sep 20]. Available from: http://hdl.handle.net/1853/54323.

Council of Science Editors:

Fonari A. Theoretical description of charge-transport and charge-generation parameters in single-component and bimolecular charge-transfer organic semiconductors. [Doctoral Dissertation]. Georgia Tech; 2015. Available from: http://hdl.handle.net/1853/54323

9. Liu, Xing. High-performance algorithms and software for large-scale molecular simulation.

Degree: PhD, Computational Science and Engineering, 2014, Georgia Tech

 Molecular simulation is an indispensable tool in many different disciplines such as physics, biology, chemical engineering, materials science, drug design, and others. Performing large-scale molecular… (more)

Subjects/Keywords: High-performance computing; Parallel algorithm; Distributed computing; Heterogenous computing; Quantum chemistry; Stokesian dynamics; Brownian dynamics

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APA (6th Edition):

Liu, X. (2014). High-performance algorithms and software for large-scale molecular simulation. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/53487

Chicago Manual of Style (16th Edition):

Liu, Xing. “High-performance algorithms and software for large-scale molecular simulation.” 2014. Doctoral Dissertation, Georgia Tech. Accessed September 20, 2019. http://hdl.handle.net/1853/53487.

MLA Handbook (7th Edition):

Liu, Xing. “High-performance algorithms and software for large-scale molecular simulation.” 2014. Web. 20 Sep 2019.

Vancouver:

Liu X. High-performance algorithms and software for large-scale molecular simulation. [Internet] [Doctoral dissertation]. Georgia Tech; 2014. [cited 2019 Sep 20]. Available from: http://hdl.handle.net/1853/53487.

Council of Science Editors:

Liu X. High-performance algorithms and software for large-scale molecular simulation. [Doctoral Dissertation]. Georgia Tech; 2014. Available from: http://hdl.handle.net/1853/53487

10. Gieseking, Rebecca Lynn. Third-order nonlinear optical properties of polymethine-based materials: a theoretical investigation.

Degree: PhD, Chemistry and Biochemistry, 2015, Georgia Tech

 Organic π-conjugated molecules and materials with large real parts and small imaginary parts of the third-order polarizability are of great interest for all-optical switching applications.… (more)

Subjects/Keywords: Polymethines; Cyanines; Computational; Theoretical; Nonlinear optics; All-optical switching

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APA (6th Edition):

Gieseking, R. L. (2015). Third-order nonlinear optical properties of polymethine-based materials: a theoretical investigation. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/53570

Chicago Manual of Style (16th Edition):

Gieseking, Rebecca Lynn. “Third-order nonlinear optical properties of polymethine-based materials: a theoretical investigation.” 2015. Doctoral Dissertation, Georgia Tech. Accessed September 20, 2019. http://hdl.handle.net/1853/53570.

MLA Handbook (7th Edition):

Gieseking, Rebecca Lynn. “Third-order nonlinear optical properties of polymethine-based materials: a theoretical investigation.” 2015. Web. 20 Sep 2019.

Vancouver:

Gieseking RL. Third-order nonlinear optical properties of polymethine-based materials: a theoretical investigation. [Internet] [Doctoral dissertation]. Georgia Tech; 2015. [cited 2019 Sep 20]. Available from: http://hdl.handle.net/1853/53570.

Council of Science Editors:

Gieseking RL. Third-order nonlinear optical properties of polymethine-based materials: a theoretical investigation. [Doctoral Dissertation]. Georgia Tech; 2015. Available from: http://hdl.handle.net/1853/53570

11. Takatani, Tait. Truth and tractability: compromising between accuracy and computational cost in quantum computational chemistry methods for noncovalent interactions and metal-salen catalysis.

Degree: PhD, Chemistry and Biochemistry, 2010, Georgia Tech

 Computational chemists are concerned about two aspects when choosing between the myriad of theoretical methodologies: the accuracy (the "truth") and the computational cost (the tractability).… (more)

Subjects/Keywords: Quantum chemistry; Ab initio; Noncovalent Interactions; Electronic stucture; Metal-salen; Computational chemistry; Hartree-Fock approximation; Schrödinger equation

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APA (6th Edition):

Takatani, T. (2010). Truth and tractability: compromising between accuracy and computational cost in quantum computational chemistry methods for noncovalent interactions and metal-salen catalysis. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/34764

Chicago Manual of Style (16th Edition):

Takatani, Tait. “Truth and tractability: compromising between accuracy and computational cost in quantum computational chemistry methods for noncovalent interactions and metal-salen catalysis.” 2010. Doctoral Dissertation, Georgia Tech. Accessed September 20, 2019. http://hdl.handle.net/1853/34764.

MLA Handbook (7th Edition):

Takatani, Tait. “Truth and tractability: compromising between accuracy and computational cost in quantum computational chemistry methods for noncovalent interactions and metal-salen catalysis.” 2010. Web. 20 Sep 2019.

Vancouver:

Takatani T. Truth and tractability: compromising between accuracy and computational cost in quantum computational chemistry methods for noncovalent interactions and metal-salen catalysis. [Internet] [Doctoral dissertation]. Georgia Tech; 2010. [cited 2019 Sep 20]. Available from: http://hdl.handle.net/1853/34764.

Council of Science Editors:

Takatani T. Truth and tractability: compromising between accuracy and computational cost in quantum computational chemistry methods for noncovalent interactions and metal-salen catalysis. [Doctoral Dissertation]. Georgia Tech; 2010. Available from: http://hdl.handle.net/1853/34764

12. Hohenstein, Edward G. Implementation and applications of density-fitted symmetry-adapted perturbation theory.

Degree: PhD, Chemistry and Biochemistry, 2011, Georgia Tech

 Noncovalent interactions play a vital role throughout much of chemistry. The understanding and characterization of these interactions is an area where theoretical chemistry can provide… (more)

Subjects/Keywords: Molecular interactions; Noncovalent interactions; Molecular recognition; SAPT; Perturbation (Mathematics); Quantum chemistry; Chemistry, Physical and theoretical

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APA (6th Edition):

Hohenstein, E. G. (2011). Implementation and applications of density-fitted symmetry-adapted perturbation theory. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/42699

Chicago Manual of Style (16th Edition):

Hohenstein, Edward G. “Implementation and applications of density-fitted symmetry-adapted perturbation theory.” 2011. Doctoral Dissertation, Georgia Tech. Accessed September 20, 2019. http://hdl.handle.net/1853/42699.

MLA Handbook (7th Edition):

Hohenstein, Edward G. “Implementation and applications of density-fitted symmetry-adapted perturbation theory.” 2011. Web. 20 Sep 2019.

Vancouver:

Hohenstein EG. Implementation and applications of density-fitted symmetry-adapted perturbation theory. [Internet] [Doctoral dissertation]. Georgia Tech; 2011. [cited 2019 Sep 20]. Available from: http://hdl.handle.net/1853/42699.

Council of Science Editors:

Hohenstein EG. Implementation and applications of density-fitted symmetry-adapted perturbation theory. [Doctoral Dissertation]. Georgia Tech; 2011. Available from: http://hdl.handle.net/1853/42699


Georgia Tech

13. Tauer, Anthony Philip. Theoretical Investigations of Pi-Pi and Sulfur-Pi Interactions and their Roles in Biomolecular Systems.

Degree: MS, Chemistry and Biochemistry, 2005, Georgia Tech

 The study of noncovalent interactions between aromatic rings and various functional groups is a very popular topic in current computational chemistry. The research presented in… (more)

Subjects/Keywords: Symmetry-adapted perturbation theory; Perturbation (Quantum dynamics); Molecular dynamics; Molecular association; Electronic structure; Biomolecules

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APA (6th Edition):

Tauer, A. P. (2005). Theoretical Investigations of Pi-Pi and Sulfur-Pi Interactions and their Roles in Biomolecular Systems. (Masters Thesis). Georgia Tech. Retrieved from http://hdl.handle.net/1853/7573

Chicago Manual of Style (16th Edition):

Tauer, Anthony Philip. “Theoretical Investigations of Pi-Pi and Sulfur-Pi Interactions and their Roles in Biomolecular Systems.” 2005. Masters Thesis, Georgia Tech. Accessed September 20, 2019. http://hdl.handle.net/1853/7573.

MLA Handbook (7th Edition):

Tauer, Anthony Philip. “Theoretical Investigations of Pi-Pi and Sulfur-Pi Interactions and their Roles in Biomolecular Systems.” 2005. Web. 20 Sep 2019.

Vancouver:

Tauer AP. Theoretical Investigations of Pi-Pi and Sulfur-Pi Interactions and their Roles in Biomolecular Systems. [Internet] [Masters thesis]. Georgia Tech; 2005. [cited 2019 Sep 20]. Available from: http://hdl.handle.net/1853/7573.

Council of Science Editors:

Tauer AP. Theoretical Investigations of Pi-Pi and Sulfur-Pi Interactions and their Roles in Biomolecular Systems. [Masters Thesis]. Georgia Tech; 2005. Available from: http://hdl.handle.net/1853/7573


Georgia Tech

14. Lee, Tae-Hee. Silver nanocluster single molecule optoelectronics and its applications.

Degree: PhD, Chemistry and Biochemistry, 2004, Georgia Tech

 Charge transport dynamics through molecular scale materials is of common interest to both scientific and engineering disciplines. Putting molecules on nanoscale break junctions is the… (more)

Subjects/Keywords: Single molecule; Electroluminescence; Optoelectroncs; Single molecule optoelectronics; Nanoclusters

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APA (6th Edition):

Lee, T. (2004). Silver nanocluster single molecule optoelectronics and its applications. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/5133

Chicago Manual of Style (16th Edition):

Lee, Tae-Hee. “Silver nanocluster single molecule optoelectronics and its applications.” 2004. Doctoral Dissertation, Georgia Tech. Accessed September 20, 2019. http://hdl.handle.net/1853/5133.

MLA Handbook (7th Edition):

Lee, Tae-Hee. “Silver nanocluster single molecule optoelectronics and its applications.” 2004. Web. 20 Sep 2019.

Vancouver:

Lee T. Silver nanocluster single molecule optoelectronics and its applications. [Internet] [Doctoral dissertation]. Georgia Tech; 2004. [cited 2019 Sep 20]. Available from: http://hdl.handle.net/1853/5133.

Council of Science Editors:

Lee T. Silver nanocluster single molecule optoelectronics and its applications. [Doctoral Dissertation]. Georgia Tech; 2004. Available from: http://hdl.handle.net/1853/5133


Georgia Tech

15. Moix, Jeremy Michael. Molecular Dynamics and Stochastic Simulations of Surface Diffusion.

Degree: PhD, Chemistry and Biochemistry, 2007, Georgia Tech

 Despite numerous advances in experimental methodologies capable of addressing the various phenomenon occurring on metal surfaces, atomic scale resolution of the microscopic dynamics remains elusive… (more)

Subjects/Keywords: Transition state theory; Rate; Modeling; Computational chemistry; Coarse-graining; Langevin; Molecular dynamics Computer simulation; Computational biology; Chemistry, Physical and theoretical Mathematics; Chemistry, Physical and theoretical Data processing

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APA (6th Edition):

Moix, J. M. (2007). Molecular Dynamics and Stochastic Simulations of Surface Diffusion. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/14580

Chicago Manual of Style (16th Edition):

Moix, Jeremy Michael. “Molecular Dynamics and Stochastic Simulations of Surface Diffusion.” 2007. Doctoral Dissertation, Georgia Tech. Accessed September 20, 2019. http://hdl.handle.net/1853/14580.

MLA Handbook (7th Edition):

Moix, Jeremy Michael. “Molecular Dynamics and Stochastic Simulations of Surface Diffusion.” 2007. Web. 20 Sep 2019.

Vancouver:

Moix JM. Molecular Dynamics and Stochastic Simulations of Surface Diffusion. [Internet] [Doctoral dissertation]. Georgia Tech; 2007. [cited 2019 Sep 20]. Available from: http://hdl.handle.net/1853/14580.

Council of Science Editors:

Moix JM. Molecular Dynamics and Stochastic Simulations of Surface Diffusion. [Doctoral Dissertation]. Georgia Tech; 2007. Available from: http://hdl.handle.net/1853/14580


Georgia Tech

16. Temelso, Berhane. Computation of Molecular Properties at the Ab Initio Limit.

Degree: PhD, Chemistry and Biochemistry, 2007, Georgia Tech

 The accuracy of a quantum chemical calculation inherently depends on the ability to account for the completeness of the one- and n-particle spaces. The size… (more)

Subjects/Keywords: High accuracy; Hydrogen abstraction; Lithium hexamers; Computational chemistry; Quantum chemistry; Ab initio; Schrödinger equation; Quantum chemistry; Electronic structure; Chemistry, Physical and theoretical Data processing; Born-Oppenheimer approximation

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APA (6th Edition):

Temelso, B. (2007). Computation of Molecular Properties at the Ab Initio Limit. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/14638

Chicago Manual of Style (16th Edition):

Temelso, Berhane. “Computation of Molecular Properties at the Ab Initio Limit.” 2007. Doctoral Dissertation, Georgia Tech. Accessed September 20, 2019. http://hdl.handle.net/1853/14638.

MLA Handbook (7th Edition):

Temelso, Berhane. “Computation of Molecular Properties at the Ab Initio Limit.” 2007. Web. 20 Sep 2019.

Vancouver:

Temelso B. Computation of Molecular Properties at the Ab Initio Limit. [Internet] [Doctoral dissertation]. Georgia Tech; 2007. [cited 2019 Sep 20]. Available from: http://hdl.handle.net/1853/14638.

Council of Science Editors:

Temelso B. Computation of Molecular Properties at the Ab Initio Limit. [Doctoral Dissertation]. Georgia Tech; 2007. Available from: http://hdl.handle.net/1853/14638


Georgia Tech

17. Wyrwas, Richard Ben, Jr. Vanadium Oxide Anions Clusters: Their Abundances, Structures and Reactions with SO₂.

Degree: PhD, Chemistry and Biochemistry, 2004, Georgia Tech

 Early transition metal oxide clusters have been a focus of study for several years. The production of vanadium oxide cluster anions in a pulsed helium… (more)

Subjects/Keywords: Time-of-flight mass spectrometry; Cluster reactivities; Carbon anion clusters; Gas phase cluster reactions; Sulfuric acid production; Vanadium oxide clusters; Metal oxide cluster anions; Vanadium oxide Synthesis Experiments; Vanadium oxide Experiments; Transition metal compounds Synthesis Experiments; Surface active agents Experiments

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APA (6th Edition):

Wyrwas, Richard Ben, J. (2004). Vanadium Oxide Anions Clusters: Their Abundances, Structures and Reactions with SO₂. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/4908

Chicago Manual of Style (16th Edition):

Wyrwas, Richard Ben, Jr. “Vanadium Oxide Anions Clusters: Their Abundances, Structures and Reactions with SO₂.” 2004. Doctoral Dissertation, Georgia Tech. Accessed September 20, 2019. http://hdl.handle.net/1853/4908.

MLA Handbook (7th Edition):

Wyrwas, Richard Ben, Jr. “Vanadium Oxide Anions Clusters: Their Abundances, Structures and Reactions with SO₂.” 2004. Web. 20 Sep 2019.

Vancouver:

Wyrwas, Richard Ben J. Vanadium Oxide Anions Clusters: Their Abundances, Structures and Reactions with SO₂. [Internet] [Doctoral dissertation]. Georgia Tech; 2004. [cited 2019 Sep 20]. Available from: http://hdl.handle.net/1853/4908.

Council of Science Editors:

Wyrwas, Richard Ben J. Vanadium Oxide Anions Clusters: Their Abundances, Structures and Reactions with SO₂. [Doctoral Dissertation]. Georgia Tech; 2004. Available from: http://hdl.handle.net/1853/4908


Georgia Tech

18. Jain, Prashant K. Plasmons in assembled metal nanostructures: radiative and nonradiative properties, near-field coupling and its universal scaling behavior.

Degree: PhD, Chemistry and Biochemistry, 2008, Georgia Tech

 Noble metal nanostructures possess unique properties including large near-field enhancement and strong light scattering and absorption due to their plasmon resonance - the collective coherent… (more)

Subjects/Keywords: Nanotechnology; Plasmon coupling; Assembly; Surface plasmon resonance; Metal nanoparticles; Nanorods; Plasmons (Physics); Nanostructured materials; Precious metals; Surface plasmon resonance

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APA (6th Edition):

Jain, P. K. (2008). Plasmons in assembled metal nanostructures: radiative and nonradiative properties, near-field coupling and its universal scaling behavior. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/28207

Chicago Manual of Style (16th Edition):

Jain, Prashant K. “Plasmons in assembled metal nanostructures: radiative and nonradiative properties, near-field coupling and its universal scaling behavior.” 2008. Doctoral Dissertation, Georgia Tech. Accessed September 20, 2019. http://hdl.handle.net/1853/28207.

MLA Handbook (7th Edition):

Jain, Prashant K. “Plasmons in assembled metal nanostructures: radiative and nonradiative properties, near-field coupling and its universal scaling behavior.” 2008. Web. 20 Sep 2019.

Vancouver:

Jain PK. Plasmons in assembled metal nanostructures: radiative and nonradiative properties, near-field coupling and its universal scaling behavior. [Internet] [Doctoral dissertation]. Georgia Tech; 2008. [cited 2019 Sep 20]. Available from: http://hdl.handle.net/1853/28207.

Council of Science Editors:

Jain PK. Plasmons in assembled metal nanostructures: radiative and nonradiative properties, near-field coupling and its universal scaling behavior. [Doctoral Dissertation]. Georgia Tech; 2008. Available from: http://hdl.handle.net/1853/28207


Georgia Tech

19. Kim, Do Hyong. Formation of Aromatic Compounds by Cyclopentadiene Moieties in Combustion Processes.

Degree: PhD, Civil and Environmental Engineering, 2005, Georgia Tech

 Polycyclic aromatic hydrocarbon (PAH) formation and growth from cyclopentadiene (CPD) moieties have been investigated using a laminar flow reactor and molecular modeling. The resonance-stabilized cyclopentadienyl… (more)

Subjects/Keywords: Cyclopentadiene; Pyrolysis; Polycyclic aromatic hydorcarbons; Polychlorinated naphthalenes; Polychlorinated dibenzofurans; Chlorinated phenols

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Kim, D. H. (2005). Formation of Aromatic Compounds by Cyclopentadiene Moieties in Combustion Processes. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/7241

Chicago Manual of Style (16th Edition):

Kim, Do Hyong. “Formation of Aromatic Compounds by Cyclopentadiene Moieties in Combustion Processes.” 2005. Doctoral Dissertation, Georgia Tech. Accessed September 20, 2019. http://hdl.handle.net/1853/7241.

MLA Handbook (7th Edition):

Kim, Do Hyong. “Formation of Aromatic Compounds by Cyclopentadiene Moieties in Combustion Processes.” 2005. Web. 20 Sep 2019.

Vancouver:

Kim DH. Formation of Aromatic Compounds by Cyclopentadiene Moieties in Combustion Processes. [Internet] [Doctoral dissertation]. Georgia Tech; 2005. [cited 2019 Sep 20]. Available from: http://hdl.handle.net/1853/7241.

Council of Science Editors:

Kim DH. Formation of Aromatic Compounds by Cyclopentadiene Moieties in Combustion Processes. [Doctoral Dissertation]. Georgia Tech; 2005. Available from: http://hdl.handle.net/1853/7241


Georgia Tech

20. Abrams, Micah L. General-Order Single-Reference and Mulit-Reference Methods in Quantum Chemistry.

Degree: PhD, Chemistry and Biochemistry, 2005, Georgia Tech

 Many-body perturbation theory and coupled-cluster theory, combined with carefully constructed basis sets, can be used to accurately compute the properties of small molecules. We applied… (more)

Subjects/Keywords: Coupled-cluster theory; Configuration interaction; Quantum chemistry; Quantum chemistry; Wave functions; Cluster analysis; Many-body problem; Molecular theory

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Abrams, M. L. (2005). General-Order Single-Reference and Mulit-Reference Methods in Quantum Chemistry. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/6852

Chicago Manual of Style (16th Edition):

Abrams, Micah L. “General-Order Single-Reference and Mulit-Reference Methods in Quantum Chemistry.” 2005. Doctoral Dissertation, Georgia Tech. Accessed September 20, 2019. http://hdl.handle.net/1853/6852.

MLA Handbook (7th Edition):

Abrams, Micah L. “General-Order Single-Reference and Mulit-Reference Methods in Quantum Chemistry.” 2005. Web. 20 Sep 2019.

Vancouver:

Abrams ML. General-Order Single-Reference and Mulit-Reference Methods in Quantum Chemistry. [Internet] [Doctoral dissertation]. Georgia Tech; 2005. [cited 2019 Sep 20]. Available from: http://hdl.handle.net/1853/6852.

Council of Science Editors:

Abrams ML. General-Order Single-Reference and Mulit-Reference Methods in Quantum Chemistry. [Doctoral Dissertation]. Georgia Tech; 2005. Available from: http://hdl.handle.net/1853/6852

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