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You searched for +publisher:"University of Georgia" +contributor:("Henry F. Schaefer, III"). Showing records 1 – 30 of 34 total matches.

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1. Vogt Geisse, Stefan Alexander. High level ab initio quantum chemistry in main group studies.

Degree: PhD, Chemistry, 2013, University of Georgia

 Quantum mechanical ab inito methods are employed to study molecules contain germa- nium and phosphorus. The dependence of the relative energies of 116 diphosphene and… (more)

Subjects/Keywords: main group chemistry; isodesmic reaction; natural bond orbital; stochastic search; coupled cluster theory; focal point analysis; three–center two–electron bond; aromaticity

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APA (6th Edition):

Vogt Geisse, S. A. (2013). High level ab initio quantum chemistry in main group studies. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/vogt-geisse_stefan-alexander_201305_phd

Chicago Manual of Style (16th Edition):

Vogt Geisse, Stefan Alexander. “High level ab initio quantum chemistry in main group studies.” 2013. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/vogt-geisse_stefan-alexander_201305_phd.

MLA Handbook (7th Edition):

Vogt Geisse, Stefan Alexander. “High level ab initio quantum chemistry in main group studies.” 2013. Web. 06 Apr 2020.

Vancouver:

Vogt Geisse SA. High level ab initio quantum chemistry in main group studies. [Internet] [Doctoral dissertation]. University of Georgia; 2013. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/vogt-geisse_stefan-alexander_201305_phd.

Council of Science Editors:

Vogt Geisse SA. High level ab initio quantum chemistry in main group studies. [Doctoral Dissertation]. University of Georgia; 2013. Available from: http://purl.galileo.usg.edu/uga_etd/vogt-geisse_stefan-alexander_201305_phd

2. Dye, Bryson Eugene. Multiscale studies: from high accuracy ab initio to qualitative density functional theory.

Degree: PhD, Chemistry, 2012, University of Georgia

 In chapter 2 the systematic complexation of one, two, and three, cyclopentadienyl ligands to lanthanides was examined. The Delta G complexation energy is found to… (more)

Subjects/Keywords: Acetylene Analogs

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APA (6th Edition):

Dye, B. E. (2012). Multiscale studies: from high accuracy ab initio to qualitative density functional theory. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/dye_bryson_e_201205_phd

Chicago Manual of Style (16th Edition):

Dye, Bryson Eugene. “Multiscale studies: from high accuracy ab initio to qualitative density functional theory.” 2012. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/dye_bryson_e_201205_phd.

MLA Handbook (7th Edition):

Dye, Bryson Eugene. “Multiscale studies: from high accuracy ab initio to qualitative density functional theory.” 2012. Web. 06 Apr 2020.

Vancouver:

Dye BE. Multiscale studies: from high accuracy ab initio to qualitative density functional theory. [Internet] [Doctoral dissertation]. University of Georgia; 2012. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/dye_bryson_e_201205_phd.

Council of Science Editors:

Dye BE. Multiscale studies: from high accuracy ab initio to qualitative density functional theory. [Doctoral Dissertation]. University of Georgia; 2012. Available from: http://purl.galileo.usg.edu/uga_etd/dye_bryson_e_201205_phd

3. Hollman, David Scott. Correlated electrons in chemical systems: theory and practice.

Degree: PhD, Chemistry, 2013, University of Georgia

 Efficient and accurate determination of the effects of electron correlation on chemical systems is the principal task of modern computational quantum chemistry. Experience has shown… (more)

Subjects/Keywords: electron structure theory

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APA (6th Edition):

Hollman, D. S. (2013). Correlated electrons in chemical systems: theory and practice. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/hollman_david_s_201305_phd

Chicago Manual of Style (16th Edition):

Hollman, David Scott. “Correlated electrons in chemical systems: theory and practice.” 2013. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/hollman_david_s_201305_phd.

MLA Handbook (7th Edition):

Hollman, David Scott. “Correlated electrons in chemical systems: theory and practice.” 2013. Web. 06 Apr 2020.

Vancouver:

Hollman DS. Correlated electrons in chemical systems: theory and practice. [Internet] [Doctoral dissertation]. University of Georgia; 2013. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/hollman_david_s_201305_phd.

Council of Science Editors:

Hollman DS. Correlated electrons in chemical systems: theory and practice. [Doctoral Dissertation]. University of Georgia; 2013. Available from: http://purl.galileo.usg.edu/uga_etd/hollman_david_s_201305_phd

4. Agarwal, Jay. Computational studies of environmentally-related topics: part I. elucidating mechanisms of rhenium-mediated carbon dioxide conversion : part II. investigating vinyl radical and methyl peroxy radical combustion intermediates.

Degree: PhD, Chemistry, 2013, University of Georgia

 Combustion processes are a major contributor of pollutants in the atmosphere; they emit particles of soot, and greenhouse gases like carbon dioxide and nitrogen oxides.… (more)

Subjects/Keywords: carbon dioxide conversion

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APA (6th Edition):

Agarwal, J. (2013). Computational studies of environmentally-related topics: part I. elucidating mechanisms of rhenium-mediated carbon dioxide conversion : part II. investigating vinyl radical and methyl peroxy radical combustion intermediates. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/agarwal_jay_201305_phd

Chicago Manual of Style (16th Edition):

Agarwal, Jay. “Computational studies of environmentally-related topics: part I. elucidating mechanisms of rhenium-mediated carbon dioxide conversion : part II. investigating vinyl radical and methyl peroxy radical combustion intermediates.” 2013. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/agarwal_jay_201305_phd.

MLA Handbook (7th Edition):

Agarwal, Jay. “Computational studies of environmentally-related topics: part I. elucidating mechanisms of rhenium-mediated carbon dioxide conversion : part II. investigating vinyl radical and methyl peroxy radical combustion intermediates.” 2013. Web. 06 Apr 2020.

Vancouver:

Agarwal J. Computational studies of environmentally-related topics: part I. elucidating mechanisms of rhenium-mediated carbon dioxide conversion : part II. investigating vinyl radical and methyl peroxy radical combustion intermediates. [Internet] [Doctoral dissertation]. University of Georgia; 2013. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/agarwal_jay_201305_phd.

Council of Science Editors:

Agarwal J. Computational studies of environmentally-related topics: part I. elucidating mechanisms of rhenium-mediated carbon dioxide conversion : part II. investigating vinyl radical and methyl peroxy radical combustion intermediates. [Doctoral Dissertation]. University of Georgia; 2013. Available from: http://purl.galileo.usg.edu/uga_etd/agarwal_jay_201305_phd

5. Narendrapurapu, Beulah Sugandhini. Study of molecular properties in inorganic and combustion chemistry employing coupled cluster and density functional methods.

Degree: PhD, Chemistry, 2013, University of Georgia

 Reactions on the C3H5 potential energy surface (PES) were investigated using the coupled cluster methodology with an unrestricted Hartree-Fock reference wavefunction. Accurate energetics of the… (more)

Subjects/Keywords: combustion chemistry

…other graduate students from Georgia Christian Grads at the University of Georgia. Last but… 

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APA (6th Edition):

Narendrapurapu, B. S. (2013). Study of molecular properties in inorganic and combustion chemistry employing coupled cluster and density functional methods. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/narendrapurapu_beulah-sugandhini_201305_phd

Chicago Manual of Style (16th Edition):

Narendrapurapu, Beulah Sugandhini. “Study of molecular properties in inorganic and combustion chemistry employing coupled cluster and density functional methods.” 2013. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/narendrapurapu_beulah-sugandhini_201305_phd.

MLA Handbook (7th Edition):

Narendrapurapu, Beulah Sugandhini. “Study of molecular properties in inorganic and combustion chemistry employing coupled cluster and density functional methods.” 2013. Web. 06 Apr 2020.

Vancouver:

Narendrapurapu BS. Study of molecular properties in inorganic and combustion chemistry employing coupled cluster and density functional methods. [Internet] [Doctoral dissertation]. University of Georgia; 2013. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/narendrapurapu_beulah-sugandhini_201305_phd.

Council of Science Editors:

Narendrapurapu BS. Study of molecular properties in inorganic and combustion chemistry employing coupled cluster and density functional methods. [Doctoral Dissertation]. University of Georgia; 2013. Available from: http://purl.galileo.usg.edu/uga_etd/narendrapurapu_beulah-sugandhini_201305_phd

6. Compaan, Katherine Rose. Exploring novel aluminum chemistry using quantum mechanical computations.

Degree: PhD, Chemistry, 2012, University of Georgia

 Quantum mechanical computational methods are applied to a variety of aluminum-containing molecules. A novel recently-synthesized organoaluminum compound, bis-pentamethylcyclopentadienyl diiododialane (Cp*2Al2I2), was investigated using density functional… (more)

Subjects/Keywords: Computational Chemistry

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APA (6th Edition):

Compaan, K. R. (2012). Exploring novel aluminum chemistry using quantum mechanical computations. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/compaan_katherine_r_201205_phd

Chicago Manual of Style (16th Edition):

Compaan, Katherine Rose. “Exploring novel aluminum chemistry using quantum mechanical computations.” 2012. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/compaan_katherine_r_201205_phd.

MLA Handbook (7th Edition):

Compaan, Katherine Rose. “Exploring novel aluminum chemistry using quantum mechanical computations.” 2012. Web. 06 Apr 2020.

Vancouver:

Compaan KR. Exploring novel aluminum chemistry using quantum mechanical computations. [Internet] [Doctoral dissertation]. University of Georgia; 2012. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/compaan_katherine_r_201205_phd.

Council of Science Editors:

Compaan KR. Exploring novel aluminum chemistry using quantum mechanical computations. [Doctoral Dissertation]. University of Georgia; 2012. Available from: http://purl.galileo.usg.edu/uga_etd/compaan_katherine_r_201205_phd


University of Georgia

7. Evangelista, Francesco. Multireference coupled cluster theory.

Degree: PhD, Chemistry, 2008, University of Georgia

 In this dissertation we have developed and applied the state specific multireference coupled cluster theory suggested by Mukherjee and co workers (Mk-MRCC). For model systems,… (more)

Subjects/Keywords: coupled cluster theory

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APA (6th Edition):

Evangelista, F. (2008). Multireference coupled cluster theory. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/evangelista_francesco_200812_phd

Chicago Manual of Style (16th Edition):

Evangelista, Francesco. “Multireference coupled cluster theory.” 2008. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/evangelista_francesco_200812_phd.

MLA Handbook (7th Edition):

Evangelista, Francesco. “Multireference coupled cluster theory.” 2008. Web. 06 Apr 2020.

Vancouver:

Evangelista F. Multireference coupled cluster theory. [Internet] [Doctoral dissertation]. University of Georgia; 2008. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/evangelista_francesco_200812_phd.

Council of Science Editors:

Evangelista F. Multireference coupled cluster theory. [Doctoral Dissertation]. University of Georgia; 2008. Available from: http://purl.galileo.usg.edu/uga_etd/evangelista_francesco_200812_phd


University of Georgia

8. Speakman, Lucas Daniel. Potential energy surfaces of small molecules and cations: insights from coupled cluster theory.

Degree: PhD, Chemistry, 2010, University of Georgia

 Precise thermochemical properties of benzaldehyde, gallium pentahydride, boron pentahydride, aluminum pentahydride, ozone, and silicon dicarbide have been determined through systematic extrapolations of ab initio energies… (more)

Subjects/Keywords: computational chemistry

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APA (6th Edition):

Speakman, L. D. (2010). Potential energy surfaces of small molecules and cations: insights from coupled cluster theory. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/speakman_lucas_d_201005_phd

Chicago Manual of Style (16th Edition):

Speakman, Lucas Daniel. “Potential energy surfaces of small molecules and cations: insights from coupled cluster theory.” 2010. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/speakman_lucas_d_201005_phd.

MLA Handbook (7th Edition):

Speakman, Lucas Daniel. “Potential energy surfaces of small molecules and cations: insights from coupled cluster theory.” 2010. Web. 06 Apr 2020.

Vancouver:

Speakman LD. Potential energy surfaces of small molecules and cations: insights from coupled cluster theory. [Internet] [Doctoral dissertation]. University of Georgia; 2010. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/speakman_lucas_d_201005_phd.

Council of Science Editors:

Speakman LD. Potential energy surfaces of small molecules and cations: insights from coupled cluster theory. [Doctoral Dissertation]. University of Georgia; 2010. Available from: http://purl.galileo.usg.edu/uga_etd/speakman_lucas_d_201005_phd


University of Georgia

9. Bloom, Jacob Walter Goldstein. Microsolvation of the CN radical and anion: competition between hydrogen bonding and electrostatic non-covalent interactions.

Degree: MS, Chemistry, 2010, University of Georgia

 A theoretical study of microsolvated CN radical and anion with water has been carried out. CN anion has long held the interest of chemists as… (more)

Subjects/Keywords: Cyanide

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APA (6th Edition):

Bloom, J. W. G. (2010). Microsolvation of the CN radical and anion: competition between hydrogen bonding and electrostatic non-covalent interactions. (Masters Thesis). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/bloom_jacob_w_201012_ms

Chicago Manual of Style (16th Edition):

Bloom, Jacob Walter Goldstein. “Microsolvation of the CN radical and anion: competition between hydrogen bonding and electrostatic non-covalent interactions.” 2010. Masters Thesis, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/bloom_jacob_w_201012_ms.

MLA Handbook (7th Edition):

Bloom, Jacob Walter Goldstein. “Microsolvation of the CN radical and anion: competition between hydrogen bonding and electrostatic non-covalent interactions.” 2010. Web. 06 Apr 2020.

Vancouver:

Bloom JWG. Microsolvation of the CN radical and anion: competition between hydrogen bonding and electrostatic non-covalent interactions. [Internet] [Masters thesis]. University of Georgia; 2010. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/bloom_jacob_w_201012_ms.

Council of Science Editors:

Bloom JWG. Microsolvation of the CN radical and anion: competition between hydrogen bonding and electrostatic non-covalent interactions. [Masters Thesis]. University of Georgia; 2010. Available from: http://purl.galileo.usg.edu/uga_etd/bloom_jacob_w_201012_ms


University of Georgia

10. Cheng, Qianyi. Quantum chemistry in radical studies.

Degree: PhD, Chemistry, 2011, University of Georgia

 Free radicals are often highly chemically reactive due to the unpaired electrons in an open shell configuration, and they usually play an important role in… (more)

Subjects/Keywords: computational chemistry

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APA (6th Edition):

Cheng, Q. (2011). Quantum chemistry in radical studies. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/cheng_qianyi_201105_phd

Chicago Manual of Style (16th Edition):

Cheng, Qianyi. “Quantum chemistry in radical studies.” 2011. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/cheng_qianyi_201105_phd.

MLA Handbook (7th Edition):

Cheng, Qianyi. “Quantum chemistry in radical studies.” 2011. Web. 06 Apr 2020.

Vancouver:

Cheng Q. Quantum chemistry in radical studies. [Internet] [Doctoral dissertation]. University of Georgia; 2011. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/cheng_qianyi_201105_phd.

Council of Science Editors:

Cheng Q. Quantum chemistry in radical studies. [Doctoral Dissertation]. University of Georgia; 2011. Available from: http://purl.galileo.usg.edu/uga_etd/cheng_qianyi_201105_phd


University of Georgia

11. Hargis, Jacqueline Connie. Benchmarking density functional theory and its applications to non-covalent interactions in biological systems.

Degree: PhD, Chemistry, 2011, University of Georgia

 Density functional theory is used to delve into a variety of biological systems that possess non-covalent interactions. Non-covalent interactions are known to be difficult to… (more)

Subjects/Keywords: Density Functional Theory; Hydrogen Bonding; Benchmarking; pi-pi interactions; non-covalent interactions; DNA; malonaldehyde; formamide dimer

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APA (6th Edition):

Hargis, J. C. (2011). Benchmarking density functional theory and its applications to non-covalent interactions in biological systems. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/hargis_jacqueline_c_201105_phd

Chicago Manual of Style (16th Edition):

Hargis, Jacqueline Connie. “Benchmarking density functional theory and its applications to non-covalent interactions in biological systems.” 2011. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/hargis_jacqueline_c_201105_phd.

MLA Handbook (7th Edition):

Hargis, Jacqueline Connie. “Benchmarking density functional theory and its applications to non-covalent interactions in biological systems.” 2011. Web. 06 Apr 2020.

Vancouver:

Hargis JC. Benchmarking density functional theory and its applications to non-covalent interactions in biological systems. [Internet] [Doctoral dissertation]. University of Georgia; 2011. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/hargis_jacqueline_c_201105_phd.

Council of Science Editors:

Hargis JC. Benchmarking density functional theory and its applications to non-covalent interactions in biological systems. [Doctoral Dissertation]. University of Georgia; 2011. Available from: http://purl.galileo.usg.edu/uga_etd/hargis_jacqueline_c_201105_phd


University of Georgia

12. Lu, Tongxiang. High accuracy ab initio quantum chemistry on P, Si, and C-containing molecules.

Degree: PhD, Chemistry, 2011, University of Georgia

 The ground states and low-lying triplet states of P2H2 isomers and the associated isomerization transition states have been investigated systematically and the global minimum has… (more)

Subjects/Keywords: coupled cluster theory; Mukherjee multi-reference coupled cluster; vibrational second-order perturbation theory; quartic force field; focal point analysis; basis set extrapolation; computational chemistry

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APA (6th Edition):

Lu, T. (2011). High accuracy ab initio quantum chemistry on P, Si, and C-containing molecules. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/lu_tongxiang_201105_phd

Chicago Manual of Style (16th Edition):

Lu, Tongxiang. “High accuracy ab initio quantum chemistry on P, Si, and C-containing molecules.” 2011. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/lu_tongxiang_201105_phd.

MLA Handbook (7th Edition):

Lu, Tongxiang. “High accuracy ab initio quantum chemistry on P, Si, and C-containing molecules.” 2011. Web. 06 Apr 2020.

Vancouver:

Lu T. High accuracy ab initio quantum chemistry on P, Si, and C-containing molecules. [Internet] [Doctoral dissertation]. University of Georgia; 2011. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/lu_tongxiang_201105_phd.

Council of Science Editors:

Lu T. High accuracy ab initio quantum chemistry on P, Si, and C-containing molecules. [Doctoral Dissertation]. University of Georgia; 2011. Available from: http://purl.galileo.usg.edu/uga_etd/lu_tongxiang_201105_phd


University of Georgia

13. Pickard, Frank Clemence. Multiscale simulations: from quantum mechanics to coarse grained molecular dynamics.

Degree: PhD, Chemistry, 2011, University of Georgia

 In chapter 2 the electronic ground state of formaldehyde and its barrier to molecular elimination were rigorously studied using high order coupled cluster techniques [up… (more)

Subjects/Keywords: Combustion Chemistry

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APA (6th Edition):

Pickard, F. C. (2011). Multiscale simulations: from quantum mechanics to coarse grained molecular dynamics. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/pickard_frank_c_201105_phd

Chicago Manual of Style (16th Edition):

Pickard, Frank Clemence. “Multiscale simulations: from quantum mechanics to coarse grained molecular dynamics.” 2011. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/pickard_frank_c_201105_phd.

MLA Handbook (7th Edition):

Pickard, Frank Clemence. “Multiscale simulations: from quantum mechanics to coarse grained molecular dynamics.” 2011. Web. 06 Apr 2020.

Vancouver:

Pickard FC. Multiscale simulations: from quantum mechanics to coarse grained molecular dynamics. [Internet] [Doctoral dissertation]. University of Georgia; 2011. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/pickard_frank_c_201105_phd.

Council of Science Editors:

Pickard FC. Multiscale simulations: from quantum mechanics to coarse grained molecular dynamics. [Doctoral Dissertation]. University of Georgia; 2011. Available from: http://purl.galileo.usg.edu/uga_etd/pickard_frank_c_201105_phd


University of Georgia

14. Wilke, Jeremiah James. Subchemical accuracy in combustion thermochemistry via ab initio methods: from basis set extrapolations to explicitly-correlated wavefunctions.

Degree: PhD, Chemistry, 2011, University of Georgia

 Wavefunction-based methods in quantum chemistry provide simultaneously the most accurate, but also most expensive method for computing molecular properties. In particular, the realm of ``subchemical'… (more)

Subjects/Keywords: coupled cluster theory; Mo ller-Plesset perturbation theory; basis set extrapolation; R12 methods; explicitly-correlated methods; computational thermochemistry; focal point analysis

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APA (6th Edition):

Wilke, J. J. (2011). Subchemical accuracy in combustion thermochemistry via ab initio methods: from basis set extrapolations to explicitly-correlated wavefunctions. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/wilke_jeremiah_j_201105_phd

Chicago Manual of Style (16th Edition):

Wilke, Jeremiah James. “Subchemical accuracy in combustion thermochemistry via ab initio methods: from basis set extrapolations to explicitly-correlated wavefunctions.” 2011. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/wilke_jeremiah_j_201105_phd.

MLA Handbook (7th Edition):

Wilke, Jeremiah James. “Subchemical accuracy in combustion thermochemistry via ab initio methods: from basis set extrapolations to explicitly-correlated wavefunctions.” 2011. Web. 06 Apr 2020.

Vancouver:

Wilke JJ. Subchemical accuracy in combustion thermochemistry via ab initio methods: from basis set extrapolations to explicitly-correlated wavefunctions. [Internet] [Doctoral dissertation]. University of Georgia; 2011. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/wilke_jeremiah_j_201105_phd.

Council of Science Editors:

Wilke JJ. Subchemical accuracy in combustion thermochemistry via ab initio methods: from basis set extrapolations to explicitly-correlated wavefunctions. [Doctoral Dissertation]. University of Georgia; 2011. Available from: http://purl.galileo.usg.edu/uga_etd/wilke_jeremiah_j_201105_phd


University of Georgia

15. Ascik, Peter Nicholas. Small beryllium clusters: Be2, Be4, and Be5.

Degree: MS, Chemistry, 2011, University of Georgia

 With the exception of the dimer, the small clusters of beryllium have yet to be successfully characterized by spectroscopy. In this study, the geometries and… (more)

Subjects/Keywords: Be2

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APA (6th Edition):

Ascik, P. N. (2011). Small beryllium clusters: Be2, Be4, and Be5. (Masters Thesis). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/ascik_peter_n_201108_ms

Chicago Manual of Style (16th Edition):

Ascik, Peter Nicholas. “Small beryllium clusters: Be2, Be4, and Be5.” 2011. Masters Thesis, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/ascik_peter_n_201108_ms.

MLA Handbook (7th Edition):

Ascik, Peter Nicholas. “Small beryllium clusters: Be2, Be4, and Be5.” 2011. Web. 06 Apr 2020.

Vancouver:

Ascik PN. Small beryllium clusters: Be2, Be4, and Be5. [Internet] [Masters thesis]. University of Georgia; 2011. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/ascik_peter_n_201108_ms.

Council of Science Editors:

Ascik PN. Small beryllium clusters: Be2, Be4, and Be5. [Masters Thesis]. University of Georgia; 2011. Available from: http://purl.galileo.usg.edu/uga_etd/ascik_peter_n_201108_ms


University of Georgia

16. Sokolov, Alexander Yuryevich. Development of density cumulant functional theory.

Degree: PhD, Chemistry, 2014, University of Georgia

 Ab initio quantum chemistry has been dominated by the wavefunction-based approaches to electron correlation. Alternatively, methods that seek approximate solutions in terms of the reduced… (more)

Subjects/Keywords: computational quantum chemistry

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APA (6th Edition):

Sokolov, A. Y. (2014). Development of density cumulant functional theory. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/sokolov_alexander_y_201405_phd

Chicago Manual of Style (16th Edition):

Sokolov, Alexander Yuryevich. “Development of density cumulant functional theory.” 2014. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/sokolov_alexander_y_201405_phd.

MLA Handbook (7th Edition):

Sokolov, Alexander Yuryevich. “Development of density cumulant functional theory.” 2014. Web. 06 Apr 2020.

Vancouver:

Sokolov AY. Development of density cumulant functional theory. [Internet] [Doctoral dissertation]. University of Georgia; 2014. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/sokolov_alexander_y_201405_phd.

Council of Science Editors:

Sokolov AY. Development of density cumulant functional theory. [Doctoral Dissertation]. University of Georgia; 2014. Available from: http://purl.galileo.usg.edu/uga_etd/sokolov_alexander_y_201405_phd


University of Georgia

17. Li, Chenyang. Applications of coupled cluster theory on infrared spectroscopy and the development of multireference driven similarity renormalization group.

Degree: PhD, Chemistry, 2015, University of Georgia

 Ab initio quantum chemistry has evolved into a matured field, with tools capable of providing reliable predictions of molecular properties. Notwithstanding the progress, much effort… (more)

Subjects/Keywords: ab initio quantum chemistry

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APA (6th Edition):

Li, C. (2015). Applications of coupled cluster theory on infrared spectroscopy and the development of multireference driven similarity renormalization group. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/li_chenyang_201505_phd

Chicago Manual of Style (16th Edition):

Li, Chenyang. “Applications of coupled cluster theory on infrared spectroscopy and the development of multireference driven similarity renormalization group.” 2015. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/li_chenyang_201505_phd.

MLA Handbook (7th Edition):

Li, Chenyang. “Applications of coupled cluster theory on infrared spectroscopy and the development of multireference driven similarity renormalization group.” 2015. Web. 06 Apr 2020.

Vancouver:

Li C. Applications of coupled cluster theory on infrared spectroscopy and the development of multireference driven similarity renormalization group. [Internet] [Doctoral dissertation]. University of Georgia; 2015. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/li_chenyang_201505_phd.

Council of Science Editors:

Li C. Applications of coupled cluster theory on infrared spectroscopy and the development of multireference driven similarity renormalization group. [Doctoral Dissertation]. University of Georgia; 2015. Available from: http://purl.galileo.usg.edu/uga_etd/li_chenyang_201505_phd


University of Georgia

18. Qiu, Yudong. Pushing the ab initio limits for the accurate characterization of small molecular systems.

Degree: PhD, Chemistry, 2015, University of Georgia

 Modern quantum chemistry has merged as one of the most important tools for understanding and predicting various properties of chemical systems. Highly accurate <i>ab initio</i>… (more)

Subjects/Keywords: Computational chemistry

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APA (6th Edition):

Qiu, Y. (2015). Pushing the ab initio limits for the accurate characterization of small molecular systems. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/qiu_yudong_201505_phd

Chicago Manual of Style (16th Edition):

Qiu, Yudong. “Pushing the ab initio limits for the accurate characterization of small molecular systems.” 2015. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/qiu_yudong_201505_phd.

MLA Handbook (7th Edition):

Qiu, Yudong. “Pushing the ab initio limits for the accurate characterization of small molecular systems.” 2015. Web. 06 Apr 2020.

Vancouver:

Qiu Y. Pushing the ab initio limits for the accurate characterization of small molecular systems. [Internet] [Doctoral dissertation]. University of Georgia; 2015. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/qiu_yudong_201505_phd.

Council of Science Editors:

Qiu Y. Pushing the ab initio limits for the accurate characterization of small molecular systems. [Doctoral Dissertation]. University of Georgia; 2015. Available from: http://purl.galileo.usg.edu/uga_etd/qiu_yudong_201505_phd


University of Georgia

19. Bera, Partha Pratim. Ab initio quantum chemical predictions of structures, energetics and physical properties: from environmentally active molecules to small clusters to dna base pairs.

Degree: PhD, Chemistry, 2007, University of Georgia

 Ab initio quantum chemistry (AIQC) methods have been employed in order to investigate small environmentally active triatomic NO2 to large DNA base pairs in this… (more)

Subjects/Keywords: ab initio

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APA (6th Edition):

Bera, P. P. (2007). Ab initio quantum chemical predictions of structures, energetics and physical properties: from environmentally active molecules to small clusters to dna base pairs. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/bera_partha_p_200705_phd

Chicago Manual of Style (16th Edition):

Bera, Partha Pratim. “Ab initio quantum chemical predictions of structures, energetics and physical properties: from environmentally active molecules to small clusters to dna base pairs.” 2007. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/bera_partha_p_200705_phd.

MLA Handbook (7th Edition):

Bera, Partha Pratim. “Ab initio quantum chemical predictions of structures, energetics and physical properties: from environmentally active molecules to small clusters to dna base pairs.” 2007. Web. 06 Apr 2020.

Vancouver:

Bera PP. Ab initio quantum chemical predictions of structures, energetics and physical properties: from environmentally active molecules to small clusters to dna base pairs. [Internet] [Doctoral dissertation]. University of Georgia; 2007. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/bera_partha_p_200705_phd.

Council of Science Editors:

Bera PP. Ab initio quantum chemical predictions of structures, energetics and physical properties: from environmentally active molecules to small clusters to dna base pairs. [Doctoral Dissertation]. University of Georgia; 2007. Available from: http://purl.galileo.usg.edu/uga_etd/bera_partha_p_200705_phd


University of Georgia

20. Ingels, Justin Boone. High accuracy ab initio methods applied to phosphaethyne and perchlorosilylcarbene.

Degree: MS, Chemistry, 2007, University of Georgia

 High-accuracy ab initio methods have been applied to two chemical systems: phosphaethyne (HCP) and perchlorosilylcarbene (Cl-C-SiCl3). HCP and its isomerization species linear HPC (found to… (more)

Subjects/Keywords: computational chemistry

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APA (6th Edition):

Ingels, J. B. (2007). High accuracy ab initio methods applied to phosphaethyne and perchlorosilylcarbene. (Masters Thesis). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/ingels_justin_b_200705_ms

Chicago Manual of Style (16th Edition):

Ingels, Justin Boone. “High accuracy ab initio methods applied to phosphaethyne and perchlorosilylcarbene.” 2007. Masters Thesis, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/ingels_justin_b_200705_ms.

MLA Handbook (7th Edition):

Ingels, Justin Boone. “High accuracy ab initio methods applied to phosphaethyne and perchlorosilylcarbene.” 2007. Web. 06 Apr 2020.

Vancouver:

Ingels JB. High accuracy ab initio methods applied to phosphaethyne and perchlorosilylcarbene. [Internet] [Masters thesis]. University of Georgia; 2007. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/ingels_justin_b_200705_ms.

Council of Science Editors:

Ingels JB. High accuracy ab initio methods applied to phosphaethyne and perchlorosilylcarbene. [Masters Thesis]. University of Georgia; 2007. Available from: http://purl.galileo.usg.edu/uga_etd/ingels_justin_b_200705_ms


University of Georgia

21. Kim, Sunghwan. Applications of density functional theory: radiation-induced DNA damage.

Degree: PhD, Chemistry, 2007, University of Georgia

 Exposure to high-energy radiation can cause mutations in living organisms by generating lethal lesions in DNA strands. Density functional theory has been employed to study… (more)

Subjects/Keywords: Density functional theory

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APA (6th Edition):

Kim, S. (2007). Applications of density functional theory: radiation-induced DNA damage. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/kim_sunghwan_200705_phd

Chicago Manual of Style (16th Edition):

Kim, Sunghwan. “Applications of density functional theory: radiation-induced DNA damage.” 2007. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/kim_sunghwan_200705_phd.

MLA Handbook (7th Edition):

Kim, Sunghwan. “Applications of density functional theory: radiation-induced DNA damage.” 2007. Web. 06 Apr 2020.

Vancouver:

Kim S. Applications of density functional theory: radiation-induced DNA damage. [Internet] [Doctoral dissertation]. University of Georgia; 2007. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/kim_sunghwan_200705_phd.

Council of Science Editors:

Kim S. Applications of density functional theory: radiation-induced DNA damage. [Doctoral Dissertation]. University of Georgia; 2007. Available from: http://purl.galileo.usg.edu/uga_etd/kim_sunghwan_200705_phd


University of Georgia

22. Mullinax, Jimmy Wayne. On the performance of density cumulant functional theory for capturing static correlation effects and ab initio computational studies of C2F4 and Ge4H4.

Degree: PhD, Chemistry, 2016, University of Georgia

 The performance of density cumulant functional theory (DCT) for capturing static correlation effects is reported and discussed. In this respect, DCT is competitive with the… (more)

Subjects/Keywords: ab initio quantum chemistry

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APA (6th Edition):

Mullinax, J. W. (2016). On the performance of density cumulant functional theory for capturing static correlation effects and ab initio computational studies of C2F4 and Ge4H4. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/mullinax_jimmy_w_201608_phd

Chicago Manual of Style (16th Edition):

Mullinax, Jimmy Wayne. “On the performance of density cumulant functional theory for capturing static correlation effects and ab initio computational studies of C2F4 and Ge4H4.” 2016. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/mullinax_jimmy_w_201608_phd.

MLA Handbook (7th Edition):

Mullinax, Jimmy Wayne. “On the performance of density cumulant functional theory for capturing static correlation effects and ab initio computational studies of C2F4 and Ge4H4.” 2016. Web. 06 Apr 2020.

Vancouver:

Mullinax JW. On the performance of density cumulant functional theory for capturing static correlation effects and ab initio computational studies of C2F4 and Ge4H4. [Internet] [Doctoral dissertation]. University of Georgia; 2016. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/mullinax_jimmy_w_201608_phd.

Council of Science Editors:

Mullinax JW. On the performance of density cumulant functional theory for capturing static correlation effects and ab initio computational studies of C2F4 and Ge4H4. [Doctoral Dissertation]. University of Georgia; 2016. Available from: http://purl.galileo.usg.edu/uga_etd/mullinax_jimmy_w_201608_phd


University of Georgia

23. Vandezande, Jonathon Eric. Design of ligands for CO2 catalysis.

Degree: PhD, Chemistry, 2017, University of Georgia

 Reducing the atmospheric CO2 concentration is of utmost importance to in mitigating global climate change. The conversion of CO2 to industrially relevant products will serve… (more)

Subjects/Keywords: carbon dioxide conversion; manganese catalysts; rhenium catalysts; electrochemical catalysis; density functional theory; catalytic mechanisms

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APA (6th Edition):

Vandezande, J. E. (2017). Design of ligands for CO2 catalysis. (Doctoral Dissertation). University of Georgia. Retrieved from http://hdl.handle.net/10724/37048

Chicago Manual of Style (16th Edition):

Vandezande, Jonathon Eric. “Design of ligands for CO2 catalysis.” 2017. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://hdl.handle.net/10724/37048.

MLA Handbook (7th Edition):

Vandezande, Jonathon Eric. “Design of ligands for CO2 catalysis.” 2017. Web. 06 Apr 2020.

Vancouver:

Vandezande JE. Design of ligands for CO2 catalysis. [Internet] [Doctoral dissertation]. University of Georgia; 2017. [cited 2020 Apr 06]. Available from: http://hdl.handle.net/10724/37048.

Council of Science Editors:

Vandezande JE. Design of ligands for CO2 catalysis. [Doctoral Dissertation]. University of Georgia; 2017. Available from: http://hdl.handle.net/10724/37048


University of Georgia

24. Vandezande, Jonathon Eric. Design of ligands for CO2 catalysis.

Degree: PhD, Chemistry, 2017, University of Georgia

 Reducing the atmospheric CO2 concentration is of utmost importance to in mitigating global climate change. The conversion of CO2 to industrially relevant products will serve… (more)

Subjects/Keywords: carbon dioxide conversion; manganese catalysts; rhenium catalysts; electrochemical catalysis; density functional theory; catalytic mechanisms

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APA (6th Edition):

Vandezande, J. E. (2017). Design of ligands for CO2 catalysis. (Doctoral Dissertation). University of Georgia. Retrieved from http://hdl.handle.net/10724/37205

Chicago Manual of Style (16th Edition):

Vandezande, Jonathon Eric. “Design of ligands for CO2 catalysis.” 2017. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://hdl.handle.net/10724/37205.

MLA Handbook (7th Edition):

Vandezande, Jonathon Eric. “Design of ligands for CO2 catalysis.” 2017. Web. 06 Apr 2020.

Vancouver:

Vandezande JE. Design of ligands for CO2 catalysis. [Internet] [Doctoral dissertation]. University of Georgia; 2017. [cited 2020 Apr 06]. Available from: http://hdl.handle.net/10724/37205.

Council of Science Editors:

Vandezande JE. Design of ligands for CO2 catalysis. [Doctoral Dissertation]. University of Georgia; 2017. Available from: http://hdl.handle.net/10724/37205


University of Georgia

25. Turner, Walter Earl. Applications of coupled cluster theory: from small hydrocarbons to potential circumstellar compounds.

Degree: PhD, Chemistry, 2017, University of Georgia

 Ethylene is an exceptional example of a stable closed-shell singlet molecule with a low-lying triplet state of very different symmetry. The 3A1 state of ethylene,… (more)

Subjects/Keywords: Computational Chemistry; Theoretical Chemistry; Coupled Cluster; Triplet Ethylene; Anharmonic Frequencies; Spectroscopy; VPT2; Astrochemistry; Phosphorus Chemistry; Natural Resonance Theory; VY Canis Majoris

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APA (6th Edition):

Turner, W. E. (2017). Applications of coupled cluster theory: from small hydrocarbons to potential circumstellar compounds. (Doctoral Dissertation). University of Georgia. Retrieved from http://hdl.handle.net/10724/37043

Chicago Manual of Style (16th Edition):

Turner, Walter Earl. “Applications of coupled cluster theory: from small hydrocarbons to potential circumstellar compounds.” 2017. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://hdl.handle.net/10724/37043.

MLA Handbook (7th Edition):

Turner, Walter Earl. “Applications of coupled cluster theory: from small hydrocarbons to potential circumstellar compounds.” 2017. Web. 06 Apr 2020.

Vancouver:

Turner WE. Applications of coupled cluster theory: from small hydrocarbons to potential circumstellar compounds. [Internet] [Doctoral dissertation]. University of Georgia; 2017. [cited 2020 Apr 06]. Available from: http://hdl.handle.net/10724/37043.

Council of Science Editors:

Turner WE. Applications of coupled cluster theory: from small hydrocarbons to potential circumstellar compounds. [Doctoral Dissertation]. University of Georgia; 2017. Available from: http://hdl.handle.net/10724/37043


University of Georgia

26. Turner, Walter Earl. Applications of coupled cluster theory: from small hydrocarbons to potential circumstellar compounds.

Degree: PhD, Chemistry, 2017, University of Georgia

 Ethylene is an exceptional example of a stable closed-shell singlet molecule with a low-lying triplet state of very different symmetry. The 3A1 state of ethylene,… (more)

Subjects/Keywords: Computational Chemistry; Theoretical Chemistry; Coupled Cluster; Triplet Ethylene; Anharmonic Frequencies; Spectroscopy; VPT2; Astrochemistry; Phosphorus Chemistry; Natural Resonance Theory; VY Canis Majoris

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APA (6th Edition):

Turner, W. E. (2017). Applications of coupled cluster theory: from small hydrocarbons to potential circumstellar compounds. (Doctoral Dissertation). University of Georgia. Retrieved from http://hdl.handle.net/10724/37200

Chicago Manual of Style (16th Edition):

Turner, Walter Earl. “Applications of coupled cluster theory: from small hydrocarbons to potential circumstellar compounds.” 2017. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://hdl.handle.net/10724/37200.

MLA Handbook (7th Edition):

Turner, Walter Earl. “Applications of coupled cluster theory: from small hydrocarbons to potential circumstellar compounds.” 2017. Web. 06 Apr 2020.

Vancouver:

Turner WE. Applications of coupled cluster theory: from small hydrocarbons to potential circumstellar compounds. [Internet] [Doctoral dissertation]. University of Georgia; 2017. [cited 2020 Apr 06]. Available from: http://hdl.handle.net/10724/37200.

Council of Science Editors:

Turner WE. Applications of coupled cluster theory: from small hydrocarbons to potential circumstellar compounds. [Doctoral Dissertation]. University of Georgia; 2017. Available from: http://hdl.handle.net/10724/37200


University of Georgia

27. Moore, Kevin Bruce. Comprehensive quantum chemical investigations of tertiary butyl peroxy radical chemistry and c-h···o hydrogen bonding in methane-formaldehyde.

Degree: PhD, Chemistry, 2018, University of Georgia

 The most sophisticated theoretical studies to date have been conducted on two distinct systems of broad chemical interest. The first is the tert-butyl peroxy radical… (more)

Subjects/Keywords: combustion; atmospheric chemistry; alkylperoxy radicals; hydrogen bonds; non-covalent interactions; reaction mechanisms; molecular properties; coupled-cluster theory

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APA (6th Edition):

Moore, K. B. (2018). Comprehensive quantum chemical investigations of tertiary butyl peroxy radical chemistry and c-h···o hydrogen bonding in methane-formaldehyde. (Doctoral Dissertation). University of Georgia. Retrieved from http://hdl.handle.net/10724/38467

Chicago Manual of Style (16th Edition):

Moore, Kevin Bruce. “Comprehensive quantum chemical investigations of tertiary butyl peroxy radical chemistry and c-h···o hydrogen bonding in methane-formaldehyde.” 2018. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://hdl.handle.net/10724/38467.

MLA Handbook (7th Edition):

Moore, Kevin Bruce. “Comprehensive quantum chemical investigations of tertiary butyl peroxy radical chemistry and c-h···o hydrogen bonding in methane-formaldehyde.” 2018. Web. 06 Apr 2020.

Vancouver:

Moore KB. Comprehensive quantum chemical investigations of tertiary butyl peroxy radical chemistry and c-h···o hydrogen bonding in methane-formaldehyde. [Internet] [Doctoral dissertation]. University of Georgia; 2018. [cited 2020 Apr 06]. Available from: http://hdl.handle.net/10724/38467.

Council of Science Editors:

Moore KB. Comprehensive quantum chemical investigations of tertiary butyl peroxy radical chemistry and c-h···o hydrogen bonding in methane-formaldehyde. [Doctoral Dissertation]. University of Georgia; 2018. Available from: http://hdl.handle.net/10724/38467


University of Georgia

28. Schuurman, Michael Stewart. The pursuit of subchemical accuracy in quantum chemistry via basis set extrapolation techniques.

Degree: PhD, Chemistry, 2004, University of Georgia

 Techniques that employ the extrapolation of atomic basis sets, in concert with sophisticated ab initio treatments of electron correlation, ar e now capable of generating… (more)

Subjects/Keywords: basis set

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APA (6th Edition):

Schuurman, M. S. (2004). The pursuit of subchemical accuracy in quantum chemistry via basis set extrapolation techniques. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/schuurman_michael_s_200412_phd

Chicago Manual of Style (16th Edition):

Schuurman, Michael Stewart. “The pursuit of subchemical accuracy in quantum chemistry via basis set extrapolation techniques.” 2004. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/schuurman_michael_s_200412_phd.

MLA Handbook (7th Edition):

Schuurman, Michael Stewart. “The pursuit of subchemical accuracy in quantum chemistry via basis set extrapolation techniques.” 2004. Web. 06 Apr 2020.

Vancouver:

Schuurman MS. The pursuit of subchemical accuracy in quantum chemistry via basis set extrapolation techniques. [Internet] [Doctoral dissertation]. University of Georgia; 2004. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/schuurman_michael_s_200412_phd.

Council of Science Editors:

Schuurman MS. The pursuit of subchemical accuracy in quantum chemistry via basis set extrapolation techniques. [Doctoral Dissertation]. University of Georgia; 2004. Available from: http://purl.galileo.usg.edu/uga_etd/schuurman_michael_s_200412_phd


University of Georgia

29. DeYonker, Nathan J. Transition-metals and excited states.

Degree: PhD, Chemistry, 2005, University of Georgia

 Two sets of molecular isomers, the iron monoisocyanide (FeNC) / iron monocyanide (FeCN) pair, and the hydroboron monoxide (HBO) / boron hydroxide (BOH) pair, are… (more)

Subjects/Keywords: ab initio quantum chemistry

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APA (6th Edition):

DeYonker, N. J. (2005). Transition-metals and excited states. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/deyonker_nathan_j_200505_phd

Chicago Manual of Style (16th Edition):

DeYonker, Nathan J. “Transition-metals and excited states.” 2005. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/deyonker_nathan_j_200505_phd.

MLA Handbook (7th Edition):

DeYonker, Nathan J. “Transition-metals and excited states.” 2005. Web. 06 Apr 2020.

Vancouver:

DeYonker NJ. Transition-metals and excited states. [Internet] [Doctoral dissertation]. University of Georgia; 2005. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/deyonker_nathan_j_200505_phd.

Council of Science Editors:

DeYonker NJ. Transition-metals and excited states. [Doctoral Dissertation]. University of Georgia; 2005. Available from: http://purl.galileo.usg.edu/uga_etd/deyonker_nathan_j_200505_phd


University of Georgia

30. Yan, Ge. Applications of modern quantum mechanical theories: from propargyl and hydroxyformyl radicals to adamantane.

Degree: PhD, Chemistry, 2005, University of Georgia

 Modern quantum mechanical theories, including high-level ab initio methods and density functional theory, have been applied to a variety of molecular systems. The first work… (more)

Subjects/Keywords: ab initio Method

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APA (6th Edition):

Yan, G. (2005). Applications of modern quantum mechanical theories: from propargyl and hydroxyformyl radicals to adamantane. (Doctoral Dissertation). University of Georgia. Retrieved from http://purl.galileo.usg.edu/uga_etd/yan_ge_200508_phd

Chicago Manual of Style (16th Edition):

Yan, Ge. “Applications of modern quantum mechanical theories: from propargyl and hydroxyformyl radicals to adamantane.” 2005. Doctoral Dissertation, University of Georgia. Accessed April 06, 2020. http://purl.galileo.usg.edu/uga_etd/yan_ge_200508_phd.

MLA Handbook (7th Edition):

Yan, Ge. “Applications of modern quantum mechanical theories: from propargyl and hydroxyformyl radicals to adamantane.” 2005. Web. 06 Apr 2020.

Vancouver:

Yan G. Applications of modern quantum mechanical theories: from propargyl and hydroxyformyl radicals to adamantane. [Internet] [Doctoral dissertation]. University of Georgia; 2005. [cited 2020 Apr 06]. Available from: http://purl.galileo.usg.edu/uga_etd/yan_ge_200508_phd.

Council of Science Editors:

Yan G. Applications of modern quantum mechanical theories: from propargyl and hydroxyformyl radicals to adamantane. [Doctoral Dissertation]. University of Georgia; 2005. Available from: http://purl.galileo.usg.edu/uga_etd/yan_ge_200508_phd

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