Advanced search options

Advanced Search Options 🞨

Browse by author name (“Author name starts with…”).

Find ETDs with:

in
/  
in
/  
in
/  
in

Written in Published in Earliest date Latest date

Sorted by

Results per page:

Sorted by: relevance · author · university · dateNew search

You searched for +publisher:"Virginia Tech" +contributor:("Crawford, T. Daniel"). Showing records 1 – 30 of 38 total matches.

[1] [2]

Search Limiters

Last 2 Years | English Only

No search limiters apply to these results.

▼ Search Limiters


Virginia Tech

1. Gamble, Stephanie Nicole. Vibrational Energies of the Hydrogen Bonds of H₃O₂⁻ and H₅O₂⁺.

Degree: MS, Mathematics, 2016, Virginia Tech

 We approximate the vibrational energies of the symmetric and asymmetric stretches of the hydrogen bonds of the molecules H_3O_2^- and H_5O_2^+ by applying an improvement… (more)

Subjects/Keywords: hydrogen bond; double well; vibrational energies

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Gamble, S. N. (2016). Vibrational Energies of the Hydrogen Bonds of H₃O₂⁻ and H₅O₂⁺. (Masters Thesis). Virginia Tech. Retrieved from http://hdl.handle.net/10919/71454

Chicago Manual of Style (16th Edition):

Gamble, Stephanie Nicole. “Vibrational Energies of the Hydrogen Bonds of H₃O₂⁻ and H₅O₂⁺.” 2016. Masters Thesis, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/71454.

MLA Handbook (7th Edition):

Gamble, Stephanie Nicole. “Vibrational Energies of the Hydrogen Bonds of H₃O₂⁻ and H₅O₂⁺.” 2016. Web. 19 Oct 2019.

Vancouver:

Gamble SN. Vibrational Energies of the Hydrogen Bonds of H₃O₂⁻ and H₅O₂⁺. [Internet] [Masters thesis]. Virginia Tech; 2016. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/71454.

Council of Science Editors:

Gamble SN. Vibrational Energies of the Hydrogen Bonds of H₃O₂⁻ and H₅O₂⁺. [Masters Thesis]. Virginia Tech; 2016. Available from: http://hdl.handle.net/10919/71454


Virginia Tech

2. Edwards, Angela Celeste. Probing the Hydrogen Bonding Interaction at the Gas-Surface Interface using Dispersion Corrected Density Functional Theory.

Degree: MS, Chemistry, 2015, Virginia Tech

 he interactions of the chemical warfare agent sulfur mustard with amorphous silica were investigated using electronic structure calculations. In this thesis, the binding energies of… (more)

Subjects/Keywords: silica; chemical warfare agents; computational chemistry; adsorption; binding energy

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Edwards, A. C. (2015). Probing the Hydrogen Bonding Interaction at the Gas-Surface Interface using Dispersion Corrected Density Functional Theory. (Masters Thesis). Virginia Tech. Retrieved from http://hdl.handle.net/10919/71784

Chicago Manual of Style (16th Edition):

Edwards, Angela Celeste. “Probing the Hydrogen Bonding Interaction at the Gas-Surface Interface using Dispersion Corrected Density Functional Theory.” 2015. Masters Thesis, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/71784.

MLA Handbook (7th Edition):

Edwards, Angela Celeste. “Probing the Hydrogen Bonding Interaction at the Gas-Surface Interface using Dispersion Corrected Density Functional Theory.” 2015. Web. 19 Oct 2019.

Vancouver:

Edwards AC. Probing the Hydrogen Bonding Interaction at the Gas-Surface Interface using Dispersion Corrected Density Functional Theory. [Internet] [Masters thesis]. Virginia Tech; 2015. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/71784.

Council of Science Editors:

Edwards AC. Probing the Hydrogen Bonding Interaction at the Gas-Surface Interface using Dispersion Corrected Density Functional Theory. [Masters Thesis]. Virginia Tech; 2015. Available from: http://hdl.handle.net/10919/71784


Virginia Tech

3. Lu, Hao. Understanding Non-viral Nucleic Acid Delivery Vehicles with Different Charge Centers and Degradation Profiles.

Degree: MS, Chemistry, 2011, Virginia Tech

 Different structures of non-viral cationic polymer delivery vehicles, including charge center type, molecular weight and degradability, could significantly affect toxicity, release of nucleic acid and… (more)

Subjects/Keywords: Guanidine; Biodegradable Polymer; Non-viral Nucleic Acid Delivery; Self-degradable

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Lu, H. (2011). Understanding Non-viral Nucleic Acid Delivery Vehicles with Different Charge Centers and Degradation Profiles. (Masters Thesis). Virginia Tech. Retrieved from http://hdl.handle.net/10919/76760

Chicago Manual of Style (16th Edition):

Lu, Hao. “Understanding Non-viral Nucleic Acid Delivery Vehicles with Different Charge Centers and Degradation Profiles.” 2011. Masters Thesis, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/76760.

MLA Handbook (7th Edition):

Lu, Hao. “Understanding Non-viral Nucleic Acid Delivery Vehicles with Different Charge Centers and Degradation Profiles.” 2011. Web. 19 Oct 2019.

Vancouver:

Lu H. Understanding Non-viral Nucleic Acid Delivery Vehicles with Different Charge Centers and Degradation Profiles. [Internet] [Masters thesis]. Virginia Tech; 2011. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/76760.

Council of Science Editors:

Lu H. Understanding Non-viral Nucleic Acid Delivery Vehicles with Different Charge Centers and Degradation Profiles. [Masters Thesis]. Virginia Tech; 2011. Available from: http://hdl.handle.net/10919/76760


Virginia Tech

4. Zhang, Jinmei. Accurate Calculations of Molecular Properties with Explicitly Correlated Methods.

Degree: PhD, Chemistry, 2014, Virginia Tech

 Conventional correlation methods suffer from the slow convergence of electron correlation energies with respect to the size of orbital expansions. This problem is due to… (more)

Subjects/Keywords: Quantum Chemistry; Explicitly Correlated Methods; High Accurate Computation; Reaction Barriers; Thermochemical Properties

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Zhang, J. (2014). Accurate Calculations of Molecular Properties with Explicitly Correlated Methods. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/50144

Chicago Manual of Style (16th Edition):

Zhang, Jinmei. “Accurate Calculations of Molecular Properties with Explicitly Correlated Methods.” 2014. Doctoral Dissertation, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/50144.

MLA Handbook (7th Edition):

Zhang, Jinmei. “Accurate Calculations of Molecular Properties with Explicitly Correlated Methods.” 2014. Web. 19 Oct 2019.

Vancouver:

Zhang J. Accurate Calculations of Molecular Properties with Explicitly Correlated Methods. [Internet] [Doctoral dissertation]. Virginia Tech; 2014. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/50144.

Council of Science Editors:

Zhang J. Accurate Calculations of Molecular Properties with Explicitly Correlated Methods. [Doctoral Dissertation]. Virginia Tech; 2014. Available from: http://hdl.handle.net/10919/50144

5. McAlexander, Harley Ray. Local Correlation Approaches and Coupled Cluster Linear Response Theory.

Degree: PhD, Chemistry, 2015, Virginia Tech

 Quantum mechanical methods are becoming increasingly useful and applicable tools to complement and support experiment. Nonetheless, some barriers to further applications of theoretical models still… (more)

Subjects/Keywords: coupled cluster; chiroptical properties; reduced scaling; local correlation

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

McAlexander, H. R. (2015). Local Correlation Approaches and Coupled Cluster Linear Response Theory. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/52951

Chicago Manual of Style (16th Edition):

McAlexander, Harley Ray. “Local Correlation Approaches and Coupled Cluster Linear Response Theory.” 2015. Doctoral Dissertation, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/52951.

MLA Handbook (7th Edition):

McAlexander, Harley Ray. “Local Correlation Approaches and Coupled Cluster Linear Response Theory.” 2015. Web. 19 Oct 2019.

Vancouver:

McAlexander HR. Local Correlation Approaches and Coupled Cluster Linear Response Theory. [Internet] [Doctoral dissertation]. Virginia Tech; 2015. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/52951.

Council of Science Editors:

McAlexander HR. Local Correlation Approaches and Coupled Cluster Linear Response Theory. [Doctoral Dissertation]. Virginia Tech; 2015. Available from: http://hdl.handle.net/10919/52951


Virginia Tech

6. Mach, Taylor Joseph. Accurate Prediction of Chiroptical Properties.

Degree: PhD, Chemistry, 2014, Virginia Tech

 Accurate theoretical predictions of optical rotation are of substantial utility to the chemical community enabling the determination of absolute configuration without the need for poten-… (more)

Subjects/Keywords: Optical Rotation; Coupled Cluster; Gauge Invariance; N-Body

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Mach, T. J. (2014). Accurate Prediction of Chiroptical Properties. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/64301

Chicago Manual of Style (16th Edition):

Mach, Taylor Joseph. “Accurate Prediction of Chiroptical Properties.” 2014. Doctoral Dissertation, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/64301.

MLA Handbook (7th Edition):

Mach, Taylor Joseph. “Accurate Prediction of Chiroptical Properties.” 2014. Web. 19 Oct 2019.

Vancouver:

Mach TJ. Accurate Prediction of Chiroptical Properties. [Internet] [Doctoral dissertation]. Virginia Tech; 2014. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/64301.

Council of Science Editors:

Mach TJ. Accurate Prediction of Chiroptical Properties. [Doctoral Dissertation]. Virginia Tech; 2014. Available from: http://hdl.handle.net/10919/64301


Virginia Tech

7. Wang, Xiaoling. MRI and NMR Investigations of Transport in Soft Materials and Explorations of Electron-Nuclear Interactions for Liquid-State Dynamic Nuclear Polarization.

Degree: PhD, Chemistry, 2015, Virginia Tech

 The first part of this dissertation (Chapters 1 to 4) describes the use of magnetic resonance techniques for polymeric material characterizations in solutions, with emphasis… (more)

Subjects/Keywords: time-resolved microMRI; diffusion; nanoparticles; collagen; polyplex; gene delivery; free polymer quantification; pulsed-field-gradient NMR; molecular weight; polyelectrolytes; liquid-state dynamic nuclear polarization; Overhauser effect; supercritic

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Wang, X. (2015). MRI and NMR Investigations of Transport in Soft Materials and Explorations of Electron-Nuclear Interactions for Liquid-State Dynamic Nuclear Polarization. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/75067

Chicago Manual of Style (16th Edition):

Wang, Xiaoling. “MRI and NMR Investigations of Transport in Soft Materials and Explorations of Electron-Nuclear Interactions for Liquid-State Dynamic Nuclear Polarization.” 2015. Doctoral Dissertation, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/75067.

MLA Handbook (7th Edition):

Wang, Xiaoling. “MRI and NMR Investigations of Transport in Soft Materials and Explorations of Electron-Nuclear Interactions for Liquid-State Dynamic Nuclear Polarization.” 2015. Web. 19 Oct 2019.

Vancouver:

Wang X. MRI and NMR Investigations of Transport in Soft Materials and Explorations of Electron-Nuclear Interactions for Liquid-State Dynamic Nuclear Polarization. [Internet] [Doctoral dissertation]. Virginia Tech; 2015. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/75067.

Council of Science Editors:

Wang X. MRI and NMR Investigations of Transport in Soft Materials and Explorations of Electron-Nuclear Interactions for Liquid-State Dynamic Nuclear Polarization. [Doctoral Dissertation]. Virginia Tech; 2015. Available from: http://hdl.handle.net/10919/75067


Virginia Tech

8. Pavosevic, Fabijan. Explicitly Correlated Methods for Large Molecular Systems.

Degree: PhD, Chemistry, 2018, Virginia Tech

 Wave function based electronic structure methods have became a robust and reliable tool for the prediction and interpretation of the results of chemical experiments. However,… (more)

Subjects/Keywords: Electronic Structure; Reduced Scaling; Explicit Correlation; Green's Functions

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Pavosevic, F. (2018). Explicitly Correlated Methods for Large Molecular Systems. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/82000

Chicago Manual of Style (16th Edition):

Pavosevic, Fabijan. “Explicitly Correlated Methods for Large Molecular Systems.” 2018. Doctoral Dissertation, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/82000.

MLA Handbook (7th Edition):

Pavosevic, Fabijan. “Explicitly Correlated Methods for Large Molecular Systems.” 2018. Web. 19 Oct 2019.

Vancouver:

Pavosevic F. Explicitly Correlated Methods for Large Molecular Systems. [Internet] [Doctoral dissertation]. Virginia Tech; 2018. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/82000.

Council of Science Editors:

Pavosevic F. Explicitly Correlated Methods for Large Molecular Systems. [Doctoral Dissertation]. Virginia Tech; 2018. Available from: http://hdl.handle.net/10919/82000


Virginia Tech

9. Peng, Chong. Coupled-Cluster Methods for Large Molecular Systems Through Massive Parallelism and Reduced-Scaling Approaches.

Degree: PhD, Chemistry, 2018, Virginia Tech

 Accurate correlated electronic structure methods involve a significant amount of computations and can be only employed to small molecular systems. For example, the coupled-cluster singles,… (more)

Subjects/Keywords: Quantum Chemistry; Electronic Structure Theory; Explicitly Correlated Coupled-Cluster Methods; Parallel Computing

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Peng, C. (2018). Coupled-Cluster Methods for Large Molecular Systems Through Massive Parallelism and Reduced-Scaling Approaches. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/82971

Chicago Manual of Style (16th Edition):

Peng, Chong. “Coupled-Cluster Methods for Large Molecular Systems Through Massive Parallelism and Reduced-Scaling Approaches.” 2018. Doctoral Dissertation, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/82971.

MLA Handbook (7th Edition):

Peng, Chong. “Coupled-Cluster Methods for Large Molecular Systems Through Massive Parallelism and Reduced-Scaling Approaches.” 2018. Web. 19 Oct 2019.

Vancouver:

Peng C. Coupled-Cluster Methods for Large Molecular Systems Through Massive Parallelism and Reduced-Scaling Approaches. [Internet] [Doctoral dissertation]. Virginia Tech; 2018. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/82971.

Council of Science Editors:

Peng C. Coupled-Cluster Methods for Large Molecular Systems Through Massive Parallelism and Reduced-Scaling Approaches. [Doctoral Dissertation]. Virginia Tech; 2018. Available from: http://hdl.handle.net/10919/82971


Virginia Tech

10. Kumar, Ashutosh. Towards a Reduced-Scaling Method for Calculating Coupled Cluster Response Properties.

Degree: PhD, Chemistry, 2018, Virginia Tech

 One of the central problems limiting the application of accurate {em ab initio} methods to large molecular systems is their high computational costs, i.e., their… (more)

Subjects/Keywords: Coupled Cluster; Reduced-Scaling; Response Properties

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Kumar, A. (2018). Towards a Reduced-Scaling Method for Calculating Coupled Cluster Response Properties. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/83846

Chicago Manual of Style (16th Edition):

Kumar, Ashutosh. “Towards a Reduced-Scaling Method for Calculating Coupled Cluster Response Properties.” 2018. Doctoral Dissertation, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/83846.

MLA Handbook (7th Edition):

Kumar, Ashutosh. “Towards a Reduced-Scaling Method for Calculating Coupled Cluster Response Properties.” 2018. Web. 19 Oct 2019.

Vancouver:

Kumar A. Towards a Reduced-Scaling Method for Calculating Coupled Cluster Response Properties. [Internet] [Doctoral dissertation]. Virginia Tech; 2018. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/83846.

Council of Science Editors:

Kumar A. Towards a Reduced-Scaling Method for Calculating Coupled Cluster Response Properties. [Doctoral Dissertation]. Virginia Tech; 2018. Available from: http://hdl.handle.net/10919/83846


Virginia Tech

11. Lewis, Cannada Andrew. The Unreasonable Usefulness of Approximation by Linear Combination.

Degree: PhD, Chemistry, 2018, Virginia Tech

 Through the exploitation of data-sparsity  – a catch all term for savings gained from a variety of approximations – it is possible to reduce the computational… (more)

Subjects/Keywords: Electronic Structure; Data-Sparsity; Tensor; Reduced Scaling

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Lewis, C. A. (2018). The Unreasonable Usefulness of Approximation by Linear Combination. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/83866

Chicago Manual of Style (16th Edition):

Lewis, Cannada Andrew. “The Unreasonable Usefulness of Approximation by Linear Combination.” 2018. Doctoral Dissertation, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/83866.

MLA Handbook (7th Edition):

Lewis, Cannada Andrew. “The Unreasonable Usefulness of Approximation by Linear Combination.” 2018. Web. 19 Oct 2019.

Vancouver:

Lewis CA. The Unreasonable Usefulness of Approximation by Linear Combination. [Internet] [Doctoral dissertation]. Virginia Tech; 2018. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/83866.

Council of Science Editors:

Lewis CA. The Unreasonable Usefulness of Approximation by Linear Combination. [Doctoral Dissertation]. Virginia Tech; 2018. Available from: http://hdl.handle.net/10919/83866


Virginia Tech

12. Fortenberry, Ryan Clifton. Theoretical Prediction of Electronically Excited States and Vibrational Frequencies of Interstellar and Planetary Radicals, Anions, and Cations.

Degree: PhD, Chemistry, 2012, Virginia Tech

 In the search for molecular species in the interstellar medium and extraterrestrial planetary atmospheres, theoretical methods continue to be an invaluable tool to astronomically minded… (more)

Subjects/Keywords: anions; cations; radicals; quartic force fields; dipole-bound states; astrochemistry; coupled cluster theory; theoretical chemistry

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Fortenberry, R. C. (2012). Theoretical Prediction of Electronically Excited States and Vibrational Frequencies of Interstellar and Planetary Radicals, Anions, and Cations. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/26329

Chicago Manual of Style (16th Edition):

Fortenberry, Ryan Clifton. “Theoretical Prediction of Electronically Excited States and Vibrational Frequencies of Interstellar and Planetary Radicals, Anions, and Cations.” 2012. Doctoral Dissertation, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/26329.

MLA Handbook (7th Edition):

Fortenberry, Ryan Clifton. “Theoretical Prediction of Electronically Excited States and Vibrational Frequencies of Interstellar and Planetary Radicals, Anions, and Cations.” 2012. Web. 19 Oct 2019.

Vancouver:

Fortenberry RC. Theoretical Prediction of Electronically Excited States and Vibrational Frequencies of Interstellar and Planetary Radicals, Anions, and Cations. [Internet] [Doctoral dissertation]. Virginia Tech; 2012. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/26329.

Council of Science Editors:

Fortenberry RC. Theoretical Prediction of Electronically Excited States and Vibrational Frequencies of Interstellar and Planetary Radicals, Anions, and Cations. [Doctoral Dissertation]. Virginia Tech; 2012. Available from: http://hdl.handle.net/10919/26329


Virginia Tech

13. Deora, Nipa. Computational Studies of Protonated Cyclic Ethers and Benzylic Organolithium Compounds.

Degree: PhD, Chemistry, 2010, Virginia Tech

 Protonated epoxides feature prominently in organic chemistry as reactive intermediates. Gas-phase calculations studying the structure and ring-opening energetics of protonated ethylene oxide, propylene oxide and… (more)

Subjects/Keywords: potential-energy surface; basis-set; epoxide; liga

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Deora, N. (2010). Computational Studies of Protonated Cyclic Ethers and Benzylic Organolithium Compounds. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/27800

Chicago Manual of Style (16th Edition):

Deora, Nipa. “Computational Studies of Protonated Cyclic Ethers and Benzylic Organolithium Compounds.” 2010. Doctoral Dissertation, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/27800.

MLA Handbook (7th Edition):

Deora, Nipa. “Computational Studies of Protonated Cyclic Ethers and Benzylic Organolithium Compounds.” 2010. Web. 19 Oct 2019.

Vancouver:

Deora N. Computational Studies of Protonated Cyclic Ethers and Benzylic Organolithium Compounds. [Internet] [Doctoral dissertation]. Virginia Tech; 2010. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/27800.

Council of Science Editors:

Deora N. Computational Studies of Protonated Cyclic Ethers and Benzylic Organolithium Compounds. [Doctoral Dissertation]. Virginia Tech; 2010. Available from: http://hdl.handle.net/10919/27800


Virginia Tech

14. Layfield, Joshua Parker. Theoretical studies of the dynamics of gas-phase and gas/surface atom+alkane reactions and of the structure and dynamics of water confined between hydrophobic surfaces.

Degree: PhD, Chemistry, 2011, Virginia Tech

 Comprehension of reactive chemical dynamics in the gas phase and at the gas/organic-surface interface and non-reactive dynamics at the interface between hydrophobic surfaces and water… (more)

Subjects/Keywords: self-assembled monolayers; quasi-classical trajectory simulations; potential-energy surface derivation; hydrophobic effect; gas/organic-surface interactions

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Layfield, J. P. (2011). Theoretical studies of the dynamics of gas-phase and gas/surface atom+alkane reactions and of the structure and dynamics of water confined between hydrophobic surfaces. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/37222

Chicago Manual of Style (16th Edition):

Layfield, Joshua Parker. “Theoretical studies of the dynamics of gas-phase and gas/surface atom+alkane reactions and of the structure and dynamics of water confined between hydrophobic surfaces.” 2011. Doctoral Dissertation, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/37222.

MLA Handbook (7th Edition):

Layfield, Joshua Parker. “Theoretical studies of the dynamics of gas-phase and gas/surface atom+alkane reactions and of the structure and dynamics of water confined between hydrophobic surfaces.” 2011. Web. 19 Oct 2019.

Vancouver:

Layfield JP. Theoretical studies of the dynamics of gas-phase and gas/surface atom+alkane reactions and of the structure and dynamics of water confined between hydrophobic surfaces. [Internet] [Doctoral dissertation]. Virginia Tech; 2011. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/37222.

Council of Science Editors:

Layfield JP. Theoretical studies of the dynamics of gas-phase and gas/surface atom+alkane reactions and of the structure and dynamics of water confined between hydrophobic surfaces. [Doctoral Dissertation]. Virginia Tech; 2011. Available from: http://hdl.handle.net/10919/37222

15. Chapleski Jr, Robert Charles. Computational Investigations at the Gas-Surface Interface: Organic Surface Oxidation and Hydrolysis of Chemical Warfare Agents and Simulants.

Degree: PhD, Chemistry, 2017, Virginia Tech

 Motivated by recent experiments in gas-surface chemistry, we report our results from computational investigations of heterogeneous systems relevant to atmospheric chemistry and protection against chemical… (more)

Subjects/Keywords: heterogeneous; atmospheric; chemical warfare agents; surfaces; oxidants; computational

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Chapleski Jr, R. C. (2017). Computational Investigations at the Gas-Surface Interface: Organic Surface Oxidation and Hydrolysis of Chemical Warfare Agents and Simulants. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/77514

Chicago Manual of Style (16th Edition):

Chapleski Jr, Robert Charles. “Computational Investigations at the Gas-Surface Interface: Organic Surface Oxidation and Hydrolysis of Chemical Warfare Agents and Simulants.” 2017. Doctoral Dissertation, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/77514.

MLA Handbook (7th Edition):

Chapleski Jr, Robert Charles. “Computational Investigations at the Gas-Surface Interface: Organic Surface Oxidation and Hydrolysis of Chemical Warfare Agents and Simulants.” 2017. Web. 19 Oct 2019.

Vancouver:

Chapleski Jr RC. Computational Investigations at the Gas-Surface Interface: Organic Surface Oxidation and Hydrolysis of Chemical Warfare Agents and Simulants. [Internet] [Doctoral dissertation]. Virginia Tech; 2017. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/77514.

Council of Science Editors:

Chapleski Jr RC. Computational Investigations at the Gas-Surface Interface: Organic Surface Oxidation and Hydrolysis of Chemical Warfare Agents and Simulants. [Doctoral Dissertation]. Virginia Tech; 2017. Available from: http://hdl.handle.net/10919/77514


Virginia Tech

16. Fuhrer, Timothy J. Computational Study of the Properties and Stabilities of Endohedral Metallofullerenes.

Degree: PhD, Chemistry, 2013, Virginia Tech

 The chemistry of fullerenes, which are a class of carbon allotropes that can be prepared by vaporization of graphite in an electric arc in a… (more)

Subjects/Keywords: Fullerenes; Endohedral; Metallofullerenes; Density Functional Theory

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Fuhrer, T. J. (2013). Computational Study of the Properties and Stabilities of Endohedral Metallofullerenes. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/19344

Chicago Manual of Style (16th Edition):

Fuhrer, Timothy J. “Computational Study of the Properties and Stabilities of Endohedral Metallofullerenes.” 2013. Doctoral Dissertation, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/19344.

MLA Handbook (7th Edition):

Fuhrer, Timothy J. “Computational Study of the Properties and Stabilities of Endohedral Metallofullerenes.” 2013. Web. 19 Oct 2019.

Vancouver:

Fuhrer TJ. Computational Study of the Properties and Stabilities of Endohedral Metallofullerenes. [Internet] [Doctoral dissertation]. Virginia Tech; 2013. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/19344.

Council of Science Editors:

Fuhrer TJ. Computational Study of the Properties and Stabilities of Endohedral Metallofullerenes. [Doctoral Dissertation]. Virginia Tech; 2013. Available from: http://hdl.handle.net/10919/19344


Virginia Tech

17. Al-Abbasi, Omar Abdulaziz. Modeling the Non-Equilibrium Behavior of Chemically Reactive Atomistic Level Systems Using Steepest-Entropy-Ascent Quantum Thermodynamics.

Degree: PhD, Mechanical Engineering, 2013, Virginia Tech

 Predicting the kinetics of a chemical reaction is a challenging task, particularly for systems in states far from equilibrium. This work discusses the use of… (more)

Subjects/Keywords: Steepest entropy ascent; chemical reaction; quantum thermodynamics

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Al-Abbasi, O. A. (2013). Modeling the Non-Equilibrium Behavior of Chemically Reactive Atomistic Level Systems Using Steepest-Entropy-Ascent Quantum Thermodynamics. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/24069

Chicago Manual of Style (16th Edition):

Al-Abbasi, Omar Abdulaziz. “Modeling the Non-Equilibrium Behavior of Chemically Reactive Atomistic Level Systems Using Steepest-Entropy-Ascent Quantum Thermodynamics.” 2013. Doctoral Dissertation, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/24069.

MLA Handbook (7th Edition):

Al-Abbasi, Omar Abdulaziz. “Modeling the Non-Equilibrium Behavior of Chemically Reactive Atomistic Level Systems Using Steepest-Entropy-Ascent Quantum Thermodynamics.” 2013. Web. 19 Oct 2019.

Vancouver:

Al-Abbasi OA. Modeling the Non-Equilibrium Behavior of Chemically Reactive Atomistic Level Systems Using Steepest-Entropy-Ascent Quantum Thermodynamics. [Internet] [Doctoral dissertation]. Virginia Tech; 2013. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/24069.

Council of Science Editors:

Al-Abbasi OA. Modeling the Non-Equilibrium Behavior of Chemically Reactive Atomistic Level Systems Using Steepest-Entropy-Ascent Quantum Thermodynamics. [Doctoral Dissertation]. Virginia Tech; 2013. Available from: http://hdl.handle.net/10919/24069


Virginia Tech

18. Liu, Zelin. Studies of Biomacromolecule Adsorption and Activity at Solid Surfaces by Surface Plasmon Resonance and Quartz Crystal Microbalance with Dissipation Monitoring.

Degree: PhD, Chemistry, 2010, Virginia Tech

 Self-assembly of polysaccharide derivatives at liquid/solid interfaces was studied by surface plasmon resonance spectroscopy (SPR) and quartz crystal microbalance with dissipation monitoring (QCM-D). Carboxymethyl cellulose… (more)

Subjects/Keywords: Surface Plasmon Resonance; QCM-D; Adsorption; Cellulase; Cellulose; Pullulan; Polysaccharides

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Liu, Z. (2010). Studies of Biomacromolecule Adsorption and Activity at Solid Surfaces by Surface Plasmon Resonance and Quartz Crystal Microbalance with Dissipation Monitoring. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/39455

Chicago Manual of Style (16th Edition):

Liu, Zelin. “Studies of Biomacromolecule Adsorption and Activity at Solid Surfaces by Surface Plasmon Resonance and Quartz Crystal Microbalance with Dissipation Monitoring.” 2010. Doctoral Dissertation, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/39455.

MLA Handbook (7th Edition):

Liu, Zelin. “Studies of Biomacromolecule Adsorption and Activity at Solid Surfaces by Surface Plasmon Resonance and Quartz Crystal Microbalance with Dissipation Monitoring.” 2010. Web. 19 Oct 2019.

Vancouver:

Liu Z. Studies of Biomacromolecule Adsorption and Activity at Solid Surfaces by Surface Plasmon Resonance and Quartz Crystal Microbalance with Dissipation Monitoring. [Internet] [Doctoral dissertation]. Virginia Tech; 2010. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/39455.

Council of Science Editors:

Liu Z. Studies of Biomacromolecule Adsorption and Activity at Solid Surfaces by Surface Plasmon Resonance and Quartz Crystal Microbalance with Dissipation Monitoring. [Doctoral Dissertation]. Virginia Tech; 2010. Available from: http://hdl.handle.net/10919/39455


Virginia Tech

19. Gradwell, Sheila Elizabeth. Self-Assembly of Pullulan Abietate on Cellulose Surfaces.

Degree: MS, Chemistry, 1999, Virginia Tech

 Wood is a complex biocomposite that exhibits a high work of fracture, making it an ideal model for multiphase man-made materials. Typically, man-made composites demonstrate… (more)

Subjects/Keywords: cellulose surface modification; pullulan abietate; Langmuir-Blodgett thin films; adsorption; self-assembly; SPR; surface plasmon resonance

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Gradwell, S. E. (1999). Self-Assembly of Pullulan Abietate on Cellulose Surfaces. (Masters Thesis). Virginia Tech. Retrieved from http://hdl.handle.net/10919/10095

Chicago Manual of Style (16th Edition):

Gradwell, Sheila Elizabeth. “Self-Assembly of Pullulan Abietate on Cellulose Surfaces.” 1999. Masters Thesis, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/10095.

MLA Handbook (7th Edition):

Gradwell, Sheila Elizabeth. “Self-Assembly of Pullulan Abietate on Cellulose Surfaces.” 1999. Web. 19 Oct 2019.

Vancouver:

Gradwell SE. Self-Assembly of Pullulan Abietate on Cellulose Surfaces. [Internet] [Masters thesis]. Virginia Tech; 1999. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/10095.

Council of Science Editors:

Gradwell SE. Self-Assembly of Pullulan Abietate on Cellulose Surfaces. [Masters Thesis]. Virginia Tech; 1999. Available from: http://hdl.handle.net/10919/10095


Virginia Tech

20. Hooper, Stephanie Elaine. Separation and Detection of 2,3-Dihydroxybenzoic Acid.

Degree: MS, Chemistry, 2002, Virginia Tech

 In Parkinson's disease, severe damage to nigrostriatal neurons causes a depletion of the neurotransmitter dopamine (DA). Oxidative stress on the brain is thought to contribute… (more)

Subjects/Keywords: electrochemical and UV detection; capillary electrophoresis; oxidative stress

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Hooper, S. E. (2002). Separation and Detection of 2,3-Dihydroxybenzoic Acid. (Masters Thesis). Virginia Tech. Retrieved from http://hdl.handle.net/10919/10112

Chicago Manual of Style (16th Edition):

Hooper, Stephanie Elaine. “Separation and Detection of 2,3-Dihydroxybenzoic Acid.” 2002. Masters Thesis, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/10112.

MLA Handbook (7th Edition):

Hooper, Stephanie Elaine. “Separation and Detection of 2,3-Dihydroxybenzoic Acid.” 2002. Web. 19 Oct 2019.

Vancouver:

Hooper SE. Separation and Detection of 2,3-Dihydroxybenzoic Acid. [Internet] [Masters thesis]. Virginia Tech; 2002. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/10112.

Council of Science Editors:

Hooper SE. Separation and Detection of 2,3-Dihydroxybenzoic Acid. [Masters Thesis]. Virginia Tech; 2002. Available from: http://hdl.handle.net/10919/10112


Virginia Tech

21. Kile, Jennifer Lynn. Solvation Energy Calculations of Homologous Trimethylammoniocarboxylates.

Degree: MS, Chemistry, 2004, Virginia Tech

 Calculating the solvation energies of surfactants is a way to predict the cmc. The solvation energies were determined for a homologous series of betaines, (CH₃)₃N+(CH₂)nCOO-… (more)

Subjects/Keywords: Solvation Energy; Betaines; Micelles; Conformations; Surfactants

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Kile, J. L. (2004). Solvation Energy Calculations of Homologous Trimethylammoniocarboxylates. (Masters Thesis). Virginia Tech. Retrieved from http://hdl.handle.net/10919/10127

Chicago Manual of Style (16th Edition):

Kile, Jennifer Lynn. “Solvation Energy Calculations of Homologous Trimethylammoniocarboxylates.” 2004. Masters Thesis, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/10127.

MLA Handbook (7th Edition):

Kile, Jennifer Lynn. “Solvation Energy Calculations of Homologous Trimethylammoniocarboxylates.” 2004. Web. 19 Oct 2019.

Vancouver:

Kile JL. Solvation Energy Calculations of Homologous Trimethylammoniocarboxylates. [Internet] [Masters thesis]. Virginia Tech; 2004. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/10127.

Council of Science Editors:

Kile JL. Solvation Energy Calculations of Homologous Trimethylammoniocarboxylates. [Masters Thesis]. Virginia Tech; 2004. Available from: http://hdl.handle.net/10919/10127


Virginia Tech

22. Shuler, Shelby. Investigation of Gas-Surface Dynamics Using an Ar Atomic Beam and Functionalized Self-Assembled Monolayers.

Degree: MS, Chemistry, 2002, Virginia Tech

 Interactions of gas-phase molecules with surfaces are important in many ordinary events, such as ozone depletion, corrison of metals, and heterogeneous catalysis. These processes are… (more)

Subjects/Keywords: self-assembled monolayers (SAMs); molecular beam; ultrahigh vacuum

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Shuler, S. (2002). Investigation of Gas-Surface Dynamics Using an Ar Atomic Beam and Functionalized Self-Assembled Monolayers. (Masters Thesis). Virginia Tech. Retrieved from http://hdl.handle.net/10919/32686

Chicago Manual of Style (16th Edition):

Shuler, Shelby. “Investigation of Gas-Surface Dynamics Using an Ar Atomic Beam and Functionalized Self-Assembled Monolayers.” 2002. Masters Thesis, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/32686.

MLA Handbook (7th Edition):

Shuler, Shelby. “Investigation of Gas-Surface Dynamics Using an Ar Atomic Beam and Functionalized Self-Assembled Monolayers.” 2002. Web. 19 Oct 2019.

Vancouver:

Shuler S. Investigation of Gas-Surface Dynamics Using an Ar Atomic Beam and Functionalized Self-Assembled Monolayers. [Internet] [Masters thesis]. Virginia Tech; 2002. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/32686.

Council of Science Editors:

Shuler S. Investigation of Gas-Surface Dynamics Using an Ar Atomic Beam and Functionalized Self-Assembled Monolayers. [Masters Thesis]. Virginia Tech; 2002. Available from: http://hdl.handle.net/10919/32686


Virginia Tech

23. Davis, Gwen Marie. Interfacial Reaction of an Olefin-Terminated Self-Assembled Monolayer Exposed to Nitrogen Dioxide: An Investigation Into the Reaction Rate and Mechanism.

Degree: MS, Chemistry, 2003, Virginia Tech

 Reactions of strongly oxidizing pollutants with unsaturated hydrocarbon surfaces are important to many areas of scientific interest. For example, reactions of unsaturated hydrocarbons on the… (more)

Subjects/Keywords: reaction mechanism; nitrogen dioxide; ultrahigh vacuum; self-assembled monolayers; unsaturated surface

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Davis, G. M. (2003). Interfacial Reaction of an Olefin-Terminated Self-Assembled Monolayer Exposed to Nitrogen Dioxide: An Investigation Into the Reaction Rate and Mechanism. (Masters Thesis). Virginia Tech. Retrieved from http://hdl.handle.net/10919/34927

Chicago Manual of Style (16th Edition):

Davis, Gwen Marie. “Interfacial Reaction of an Olefin-Terminated Self-Assembled Monolayer Exposed to Nitrogen Dioxide: An Investigation Into the Reaction Rate and Mechanism.” 2003. Masters Thesis, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/34927.

MLA Handbook (7th Edition):

Davis, Gwen Marie. “Interfacial Reaction of an Olefin-Terminated Self-Assembled Monolayer Exposed to Nitrogen Dioxide: An Investigation Into the Reaction Rate and Mechanism.” 2003. Web. 19 Oct 2019.

Vancouver:

Davis GM. Interfacial Reaction of an Olefin-Terminated Self-Assembled Monolayer Exposed to Nitrogen Dioxide: An Investigation Into the Reaction Rate and Mechanism. [Internet] [Masters thesis]. Virginia Tech; 2003. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/34927.

Council of Science Editors:

Davis GM. Interfacial Reaction of an Olefin-Terminated Self-Assembled Monolayer Exposed to Nitrogen Dioxide: An Investigation Into the Reaction Rate and Mechanism. [Masters Thesis]. Virginia Tech; 2003. Available from: http://hdl.handle.net/10919/34927


Virginia Tech

24. Herman, Mark Steven. Born-Oppenheimer Corrections Near a Renner-Teller Crossing.

Degree: PhD, Mathematics, 2008, Virginia Tech

 We perform a rigorous mathematical analysis of the bending modes of a linear triatomic molecule that exhibits the Renner-Teller effect. Assuming the potentials are smooth,… (more)

Subjects/Keywords: Perturbation Theory; Born-Oppenheimer Approximation; Renner-Teller Effect

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Herman, M. S. (2008). Born-Oppenheimer Corrections Near a Renner-Teller Crossing. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/28200

Chicago Manual of Style (16th Edition):

Herman, Mark Steven. “Born-Oppenheimer Corrections Near a Renner-Teller Crossing.” 2008. Doctoral Dissertation, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/28200.

MLA Handbook (7th Edition):

Herman, Mark Steven. “Born-Oppenheimer Corrections Near a Renner-Teller Crossing.” 2008. Web. 19 Oct 2019.

Vancouver:

Herman MS. Born-Oppenheimer Corrections Near a Renner-Teller Crossing. [Internet] [Doctoral dissertation]. Virginia Tech; 2008. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/28200.

Council of Science Editors:

Herman MS. Born-Oppenheimer Corrections Near a Renner-Teller Crossing. [Doctoral Dissertation]. Virginia Tech; 2008. Available from: http://hdl.handle.net/10919/28200


Virginia Tech

25. Fiegland, Larry Richard. Ultrahigh Vacuum Studies of the Reaction Mechanisms of Ozone with Saturated and Unsaturated Self-Assembled Monolayers.

Degree: PhD, Chemistry, 2008, Virginia Tech

 Constructing a detailed understanding of the heterogeneous oxidation of atmospheric organic aerosols, both from a mechanistic and kinetic perspective, will enable researchers to predict the… (more)

Subjects/Keywords: ozone; ultrahigh vacuum; vinyl-terminated self-assembled monolayers; atmospheric aerosols; ozonolysis

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Fiegland, L. R. (2008). Ultrahigh Vacuum Studies of the Reaction Mechanisms of Ozone with Saturated and Unsaturated Self-Assembled Monolayers. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/25998

Chicago Manual of Style (16th Edition):

Fiegland, Larry Richard. “Ultrahigh Vacuum Studies of the Reaction Mechanisms of Ozone with Saturated and Unsaturated Self-Assembled Monolayers.” 2008. Doctoral Dissertation, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/25998.

MLA Handbook (7th Edition):

Fiegland, Larry Richard. “Ultrahigh Vacuum Studies of the Reaction Mechanisms of Ozone with Saturated and Unsaturated Self-Assembled Monolayers.” 2008. Web. 19 Oct 2019.

Vancouver:

Fiegland LR. Ultrahigh Vacuum Studies of the Reaction Mechanisms of Ozone with Saturated and Unsaturated Self-Assembled Monolayers. [Internet] [Doctoral dissertation]. Virginia Tech; 2008. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/25998.

Council of Science Editors:

Fiegland LR. Ultrahigh Vacuum Studies of the Reaction Mechanisms of Ozone with Saturated and Unsaturated Self-Assembled Monolayers. [Doctoral Dissertation]. Virginia Tech; 2008. Available from: http://hdl.handle.net/10919/25998


Virginia Tech

26. Li, Bingbing. Phase Behavior of Poly(Caprolactone) Based Polymer Blends As Langmuir Films at the Air/Water Interface.

Degree: PhD, Chemistry, 2007, Virginia Tech

 Poly (caprolactone) (PCL) has been widely studied as a model system for investigating polymer crystallization. In this thesis, PCL crystallization along with other phase transitions… (more)

Subjects/Keywords: Langmuir monolayers; Polymer blends; Crystallization; Diffusion-limited growth; Dendritic growth; Poly(caprolactone)

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Li, B. (2007). Phase Behavior of Poly(Caprolactone) Based Polymer Blends As Langmuir Films at the Air/Water Interface. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/26210

Chicago Manual of Style (16th Edition):

Li, Bingbing. “Phase Behavior of Poly(Caprolactone) Based Polymer Blends As Langmuir Films at the Air/Water Interface.” 2007. Doctoral Dissertation, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/26210.

MLA Handbook (7th Edition):

Li, Bingbing. “Phase Behavior of Poly(Caprolactone) Based Polymer Blends As Langmuir Films at the Air/Water Interface.” 2007. Web. 19 Oct 2019.

Vancouver:

Li B. Phase Behavior of Poly(Caprolactone) Based Polymer Blends As Langmuir Films at the Air/Water Interface. [Internet] [Doctoral dissertation]. Virginia Tech; 2007. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/26210.

Council of Science Editors:

Li B. Phase Behavior of Poly(Caprolactone) Based Polymer Blends As Langmuir Films at the Air/Water Interface. [Doctoral Dissertation]. Virginia Tech; 2007. Available from: http://hdl.handle.net/10919/26210


Virginia Tech

27. Wang, Xiaodong. Design, Syntheses, and Bioactivities of Conformationally Locked Pin1 Ground State Inhibitors.

Degree: PhD, Chemistry, 2005, Virginia Tech

 Pin1 (protein interacting with NIMA 1) is a peptidyl-prolyl isomerase involved in mitosis. As a potential anti-cancer drug target, Pin1 interacts and regulates the activity… (more)

Subjects/Keywords: conformation; collagen; inhibition; assay; Ser-trans-Pro; Ser-cis-Pro; peptidomimetics; solid phase peptide synthesis; cell cycle; Pin1; isosteres; mimic

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Wang, X. (2005). Design, Syntheses, and Bioactivities of Conformationally Locked Pin1 Ground State Inhibitors. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/26625

Chicago Manual of Style (16th Edition):

Wang, Xiaodong. “Design, Syntheses, and Bioactivities of Conformationally Locked Pin1 Ground State Inhibitors.” 2005. Doctoral Dissertation, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/26625.

MLA Handbook (7th Edition):

Wang, Xiaodong. “Design, Syntheses, and Bioactivities of Conformationally Locked Pin1 Ground State Inhibitors.” 2005. Web. 19 Oct 2019.

Vancouver:

Wang X. Design, Syntheses, and Bioactivities of Conformationally Locked Pin1 Ground State Inhibitors. [Internet] [Doctoral dissertation]. Virginia Tech; 2005. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/26625.

Council of Science Editors:

Wang X. Design, Syntheses, and Bioactivities of Conformationally Locked Pin1 Ground State Inhibitors. [Doctoral Dissertation]. Virginia Tech; 2005. Available from: http://hdl.handle.net/10919/26625


Virginia Tech

28. Alexander, William Andrew. Theoretical and experimental studies of energy transfer dynamics in collisions of atomic and molecular species with model organic surfaces.

Degree: PhD, Chemistry, 2009, Virginia Tech

 A full understanding of chemical reaction dynamics at the gas/organic-surface interface requires knowledge of energy-transfer processes that happen during the initial gas/surface collision. We have… (more)

Subjects/Keywords: stereodynamics; classical-trajectory simulations; molecular-beam scattering; potential-energy surface derivation; self-assembled monolayers; rotational and vibrational energy transfer

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Alexander, W. A. (2009). Theoretical and experimental studies of energy transfer dynamics in collisions of atomic and molecular species with model organic surfaces. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/26857

Chicago Manual of Style (16th Edition):

Alexander, William Andrew. “Theoretical and experimental studies of energy transfer dynamics in collisions of atomic and molecular species with model organic surfaces.” 2009. Doctoral Dissertation, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/26857.

MLA Handbook (7th Edition):

Alexander, William Andrew. “Theoretical and experimental studies of energy transfer dynamics in collisions of atomic and molecular species with model organic surfaces.” 2009. Web. 19 Oct 2019.

Vancouver:

Alexander WA. Theoretical and experimental studies of energy transfer dynamics in collisions of atomic and molecular species with model organic surfaces. [Internet] [Doctoral dissertation]. Virginia Tech; 2009. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/26857.

Council of Science Editors:

Alexander WA. Theoretical and experimental studies of energy transfer dynamics in collisions of atomic and molecular species with model organic surfaces. [Doctoral Dissertation]. Virginia Tech; 2009. Available from: http://hdl.handle.net/10919/26857


Virginia Tech

29. Russ, Nicholas Joel. Local Correlation: Implementation and Application to Molecular Response Properties.

Degree: PhD, Chemistry, 2006, Virginia Tech

 One of the most promising methods for surmounting the high-degree polynomial scaling wall associated with electron correlating wave function methods is the local correlation technique… (more)

Subjects/Keywords: coupled cluster; polarizability; optical rotation; local correlation; CC2

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Russ, N. J. (2006). Local Correlation: Implementation and Application to Molecular Response Properties. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/27004

Chicago Manual of Style (16th Edition):

Russ, Nicholas Joel. “Local Correlation: Implementation and Application to Molecular Response Properties.” 2006. Doctoral Dissertation, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/27004.

MLA Handbook (7th Edition):

Russ, Nicholas Joel. “Local Correlation: Implementation and Application to Molecular Response Properties.” 2006. Web. 19 Oct 2019.

Vancouver:

Russ NJ. Local Correlation: Implementation and Application to Molecular Response Properties. [Internet] [Doctoral dissertation]. Virginia Tech; 2006. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/27004.

Council of Science Editors:

Russ NJ. Local Correlation: Implementation and Application to Molecular Response Properties. [Doctoral Dissertation]. Virginia Tech; 2006. Available from: http://hdl.handle.net/10919/27004


Virginia Tech

30. Tam, Mary Christina. Ab initio Calculations of Optical Rotation.

Degree: PhD, Chemistry, 2006, Virginia Tech

 Coupled cluster (CC) and density functional theory (DFT) are highly regarded as robust quantum chemical methods for accurately predicting a wide variety of properties, such… (more)

Subjects/Keywords: coupled cluster theory; density functional theory; optical rotation

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Tam, M. C. (2006). Ab initio Calculations of Optical Rotation. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/27214

Chicago Manual of Style (16th Edition):

Tam, Mary Christina. “Ab initio Calculations of Optical Rotation.” 2006. Doctoral Dissertation, Virginia Tech. Accessed October 19, 2019. http://hdl.handle.net/10919/27214.

MLA Handbook (7th Edition):

Tam, Mary Christina. “Ab initio Calculations of Optical Rotation.” 2006. Web. 19 Oct 2019.

Vancouver:

Tam MC. Ab initio Calculations of Optical Rotation. [Internet] [Doctoral dissertation]. Virginia Tech; 2006. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/10919/27214.

Council of Science Editors:

Tam MC. Ab initio Calculations of Optical Rotation. [Doctoral Dissertation]. Virginia Tech; 2006. Available from: http://hdl.handle.net/10919/27214

[1] [2]

.