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You searched for +publisher:"Virginia Tech" +contributor:("Troya, Diego"). Showing records 1 – 30 of 39 total matches.

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Virginia Tech

1. Qin, Chao. Mineral Surface Catalyzed Polymerization Of Estrogen And Microbial Deactivation By Fe3+-Saturated Montmorillonite: A Potentially Low Cost Material For Water Decontamination.

Degree: PhD, Crop and Soil Environmental Sciences, 2017, Virginia Tech

 With advantages of high cation exchange capacity, swelling-shrinking property and large specific surface area, monmtorillonite is chosen as a carrier and modified with Fe3+ saturation… (more)

Subjects/Keywords: Fe3+-saturated montmorillonite; 17β-estradiol; wastewater; polymerization; microbial deactivation; paper impregnation

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APA (6th Edition):

Qin, C. (2017). Mineral Surface Catalyzed Polymerization Of Estrogen And Microbial Deactivation By Fe3+-Saturated Montmorillonite: A Potentially Low Cost Material For Water Decontamination. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/84467

Chicago Manual of Style (16th Edition):

Qin, Chao. “Mineral Surface Catalyzed Polymerization Of Estrogen And Microbial Deactivation By Fe3+-Saturated Montmorillonite: A Potentially Low Cost Material For Water Decontamination.” 2017. Doctoral Dissertation, Virginia Tech. Accessed October 21, 2019. http://hdl.handle.net/10919/84467.

MLA Handbook (7th Edition):

Qin, Chao. “Mineral Surface Catalyzed Polymerization Of Estrogen And Microbial Deactivation By Fe3+-Saturated Montmorillonite: A Potentially Low Cost Material For Water Decontamination.” 2017. Web. 21 Oct 2019.

Vancouver:

Qin C. Mineral Surface Catalyzed Polymerization Of Estrogen And Microbial Deactivation By Fe3+-Saturated Montmorillonite: A Potentially Low Cost Material For Water Decontamination. [Internet] [Doctoral dissertation]. Virginia Tech; 2017. [cited 2019 Oct 21]. Available from: http://hdl.handle.net/10919/84467.

Council of Science Editors:

Qin C. Mineral Surface Catalyzed Polymerization Of Estrogen And Microbial Deactivation By Fe3+-Saturated Montmorillonite: A Potentially Low Cost Material For Water Decontamination. [Doctoral Dissertation]. Virginia Tech; 2017. Available from: http://hdl.handle.net/10919/84467


Virginia Tech

2. Adam, Ahmad Yahia. Theoretical Prediction of Nuclear Magnetic Shielding Constants of Acetonitrile.

Degree: MS, Chemistry, 2012, Virginia Tech

 Gauge invariant shielding constants calculations of ?H, ?C, and ??N were calculated for acetonitrile in the gas and liquid phases. Dierent basis sets as well… (more)

Subjects/Keywords: Molecular Dynamics Simulation; Quantum Chemical Models; Magnetic Properties; Acetonitrile

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APA (6th Edition):

Adam, A. Y. (2012). Theoretical Prediction of Nuclear Magnetic Shielding Constants of Acetonitrile. (Masters Thesis). Virginia Tech. Retrieved from http://hdl.handle.net/10919/76769

Chicago Manual of Style (16th Edition):

Adam, Ahmad Yahia. “Theoretical Prediction of Nuclear Magnetic Shielding Constants of Acetonitrile.” 2012. Masters Thesis, Virginia Tech. Accessed October 21, 2019. http://hdl.handle.net/10919/76769.

MLA Handbook (7th Edition):

Adam, Ahmad Yahia. “Theoretical Prediction of Nuclear Magnetic Shielding Constants of Acetonitrile.” 2012. Web. 21 Oct 2019.

Vancouver:

Adam AY. Theoretical Prediction of Nuclear Magnetic Shielding Constants of Acetonitrile. [Internet] [Masters thesis]. Virginia Tech; 2012. [cited 2019 Oct 21]. Available from: http://hdl.handle.net/10919/76769.

Council of Science Editors:

Adam AY. Theoretical Prediction of Nuclear Magnetic Shielding Constants of Acetonitrile. [Masters Thesis]. Virginia Tech; 2012. Available from: http://hdl.handle.net/10919/76769


Virginia Tech

3. 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

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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 21, 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. 21 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 21]. 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

4. Schultz, Spencer Albert. An Investigation into the Use of Density Functional Theory (DFT) Calculations for Predicting Vibrational Transitions for Perfluroinated Sulfonic Acid (PFSA) Ionomer Membranes.

Degree: MS, Chemistry, 2019, Virginia Tech

 Perfluorinated sulfonic acid (PFSA) ionomer membranes demonstrate great potential for use in proton exchange membrane fuel cells (PEMFCs) due to their favorable electronic properties and… (more)

Subjects/Keywords: DFT; PFSA; PTFE; Ionomers; Aquivion; 3M PFSA; Nafion; PEMFC; B3LYP; HF; M06; WB97XD; 6-31+G*; 6-311+G*; cc-pVDZ; AUG-cc-pVDZ; FTIR; Transmission; ATR

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APA (6th Edition):

Schultz, S. A. (2019). An Investigation into the Use of Density Functional Theory (DFT) Calculations for Predicting Vibrational Transitions for Perfluroinated Sulfonic Acid (PFSA) Ionomer Membranes. (Masters Thesis). Virginia Tech. Retrieved from http://hdl.handle.net/10919/87470

Chicago Manual of Style (16th Edition):

Schultz, Spencer Albert. “An Investigation into the Use of Density Functional Theory (DFT) Calculations for Predicting Vibrational Transitions for Perfluroinated Sulfonic Acid (PFSA) Ionomer Membranes.” 2019. Masters Thesis, Virginia Tech. Accessed October 21, 2019. http://hdl.handle.net/10919/87470.

MLA Handbook (7th Edition):

Schultz, Spencer Albert. “An Investigation into the Use of Density Functional Theory (DFT) Calculations for Predicting Vibrational Transitions for Perfluroinated Sulfonic Acid (PFSA) Ionomer Membranes.” 2019. Web. 21 Oct 2019.

Vancouver:

Schultz SA. An Investigation into the Use of Density Functional Theory (DFT) Calculations for Predicting Vibrational Transitions for Perfluroinated Sulfonic Acid (PFSA) Ionomer Membranes. [Internet] [Masters thesis]. Virginia Tech; 2019. [cited 2019 Oct 21]. Available from: http://hdl.handle.net/10919/87470.

Council of Science Editors:

Schultz SA. An Investigation into the Use of Density Functional Theory (DFT) Calculations for Predicting Vibrational Transitions for Perfluroinated Sulfonic Acid (PFSA) Ionomer Membranes. [Masters Thesis]. Virginia Tech; 2019. Available from: http://hdl.handle.net/10919/87470


Virginia Tech

5. Shaikh, Shaunak Mehboob. Synthesis and Characterization of pure-phase Zr-MOFs Based on meso-Tetra(4-carboxyphenyl)porphine.

Degree: MS, Chemistry, 2019, Virginia Tech

 Chapter 1: The unique chemical and biological properties of porphyrins have led to increased interest in the development of porphyrin-based materials. Metal organic frameworks (MOFs)… (more)

Subjects/Keywords: Metal-organic frameworks; modulators; polymorphism; defects; porphyrins; energy transfer

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APA (6th Edition):

Shaikh, S. M. (2019). Synthesis and Characterization of pure-phase Zr-MOFs Based on meso-Tetra(4-carboxyphenyl)porphine. (Masters Thesis). Virginia Tech. Retrieved from http://hdl.handle.net/10919/89342

Chicago Manual of Style (16th Edition):

Shaikh, Shaunak Mehboob. “Synthesis and Characterization of pure-phase Zr-MOFs Based on meso-Tetra(4-carboxyphenyl)porphine.” 2019. Masters Thesis, Virginia Tech. Accessed October 21, 2019. http://hdl.handle.net/10919/89342.

MLA Handbook (7th Edition):

Shaikh, Shaunak Mehboob. “Synthesis and Characterization of pure-phase Zr-MOFs Based on meso-Tetra(4-carboxyphenyl)porphine.” 2019. Web. 21 Oct 2019.

Vancouver:

Shaikh SM. Synthesis and Characterization of pure-phase Zr-MOFs Based on meso-Tetra(4-carboxyphenyl)porphine. [Internet] [Masters thesis]. Virginia Tech; 2019. [cited 2019 Oct 21]. Available from: http://hdl.handle.net/10919/89342.

Council of Science Editors:

Shaikh SM. Synthesis and Characterization of pure-phase Zr-MOFs Based on meso-Tetra(4-carboxyphenyl)porphine. [Masters Thesis]. Virginia Tech; 2019. Available from: http://hdl.handle.net/10919/89342


Virginia Tech

6. Kidd, Bryce Edwin. Multiscale Transport and Dynamics in Ion-Dense Organic Electrolytes and Copolymer Micelles.

Degree: PhD, Chemistry, 2016, Virginia Tech

 Understanding molecular and ion dynamics in soft materials used for fuel cell, battery, and drug delivery vehicle applications on multiple time and length scales provides… (more)

Subjects/Keywords: organic ionic plastic crystal; polymer-gel electrolyte; ion-conducting membrane; copolymer micelle; NMR; self-diffusion; T1/T2 relaxation; Stokes-Einstein relation

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APA (6th Edition):

Kidd, B. E. (2016). Multiscale Transport and Dynamics in Ion-Dense Organic Electrolytes and Copolymer Micelles. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/82525

Chicago Manual of Style (16th Edition):

Kidd, Bryce Edwin. “Multiscale Transport and Dynamics in Ion-Dense Organic Electrolytes and Copolymer Micelles.” 2016. Doctoral Dissertation, Virginia Tech. Accessed October 21, 2019. http://hdl.handle.net/10919/82525.

MLA Handbook (7th Edition):

Kidd, Bryce Edwin. “Multiscale Transport and Dynamics in Ion-Dense Organic Electrolytes and Copolymer Micelles.” 2016. Web. 21 Oct 2019.

Vancouver:

Kidd BE. Multiscale Transport and Dynamics in Ion-Dense Organic Electrolytes and Copolymer Micelles. [Internet] [Doctoral dissertation]. Virginia Tech; 2016. [cited 2019 Oct 21]. Available from: http://hdl.handle.net/10919/82525.

Council of Science Editors:

Kidd BE. Multiscale Transport and Dynamics in Ion-Dense Organic Electrolytes and Copolymer Micelles. [Doctoral Dissertation]. Virginia Tech; 2016. Available from: http://hdl.handle.net/10919/82525


Virginia Tech

7. Zhang, Yafen. Fundamental Studies of Reactions between NO3 Radicals and Organic Surfaces.

Degree: MS, Chemistry, 2012, Virginia Tech

 Ultrahigh vacuum (UHV) surface science experiments were designed to study reaction kinetics and mechanisms of gas-phase NO3 radicals with well-organized, highly characterized, organic thin films.… (more)

Subjects/Keywords: nitrate radicals; self-assembled monolayers; ultrahigh vacuum; electrophilic addition; hydrogen abstraction

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APA (6th Edition):

Zhang, Y. (2012). Fundamental Studies of Reactions between NO3 Radicals and Organic Surfaces. (Masters Thesis). Virginia Tech. Retrieved from http://hdl.handle.net/10919/42372

Chicago Manual of Style (16th Edition):

Zhang, Yafen. “Fundamental Studies of Reactions between NO3 Radicals and Organic Surfaces.” 2012. Masters Thesis, Virginia Tech. Accessed October 21, 2019. http://hdl.handle.net/10919/42372.

MLA Handbook (7th Edition):

Zhang, Yafen. “Fundamental Studies of Reactions between NO3 Radicals and Organic Surfaces.” 2012. Web. 21 Oct 2019.

Vancouver:

Zhang Y. Fundamental Studies of Reactions between NO3 Radicals and Organic Surfaces. [Internet] [Masters thesis]. Virginia Tech; 2012. [cited 2019 Oct 21]. Available from: http://hdl.handle.net/10919/42372.

Council of Science Editors:

Zhang Y. Fundamental Studies of Reactions between NO3 Radicals and Organic Surfaces. [Masters Thesis]. Virginia Tech; 2012. Available from: http://hdl.handle.net/10919/42372


Virginia Tech

8. Lu, Jessica Weidgin. Dynamics of Atmospherically Important Triatomics in Collisions with Model Organic Surfaces.

Degree: PhD, Chemistry, 2011, Virginia Tech

 Detailed investigations of molecular collisions at the gas-surface interface provide insight into the dynamics and mechanisms of important interfacial reactions. A thorough understanding of the… (more)

Subjects/Keywords: Cavity ring-down aerosol spectroscopy; Molecular beam; Aerosols; Ultra-high vacuum; Reflection-Absorption Infrared Spectroscopy; Self-assembled monolayers

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APA (6th Edition):

Lu, J. W. (2011). Dynamics of Atmospherically Important Triatomics in Collisions with Model Organic Surfaces. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/77045

Chicago Manual of Style (16th Edition):

Lu, Jessica Weidgin. “Dynamics of Atmospherically Important Triatomics in Collisions with Model Organic Surfaces.” 2011. Doctoral Dissertation, Virginia Tech. Accessed October 21, 2019. http://hdl.handle.net/10919/77045.

MLA Handbook (7th Edition):

Lu, Jessica Weidgin. “Dynamics of Atmospherically Important Triatomics in Collisions with Model Organic Surfaces.” 2011. Web. 21 Oct 2019.

Vancouver:

Lu JW. Dynamics of Atmospherically Important Triatomics in Collisions with Model Organic Surfaces. [Internet] [Doctoral dissertation]. Virginia Tech; 2011. [cited 2019 Oct 21]. Available from: http://hdl.handle.net/10919/77045.

Council of Science Editors:

Lu JW. Dynamics of Atmospherically Important Triatomics in Collisions with Model Organic Surfaces. [Doctoral Dissertation]. Virginia Tech; 2011. Available from: http://hdl.handle.net/10919/77045


Virginia Tech

9. Mitroka, Susan M. Modulation of Hydroxyl Radical Reactivity and Radical Degradation of High Density Polyethylene.

Degree: PhD, Chemistry, 2010, Virginia Tech

 Oxidative processes are linked to a number of major disease states as well as the breakdown of many materials. Of particular importance are reactive oxygen… (more)

Subjects/Keywords: hydroxyl radical; hydrogen atom transfer; polarized transition state; oxidation; auto oxidation; high density polyethylene; accelerated aging

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APA (6th Edition):

Mitroka, S. M. (2010). Modulation of Hydroxyl Radical Reactivity and Radical Degradation of High Density Polyethylene. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/77137

Chicago Manual of Style (16th Edition):

Mitroka, Susan M. “Modulation of Hydroxyl Radical Reactivity and Radical Degradation of High Density Polyethylene.” 2010. Doctoral Dissertation, Virginia Tech. Accessed October 21, 2019. http://hdl.handle.net/10919/77137.

MLA Handbook (7th Edition):

Mitroka, Susan M. “Modulation of Hydroxyl Radical Reactivity and Radical Degradation of High Density Polyethylene.” 2010. Web. 21 Oct 2019.

Vancouver:

Mitroka SM. Modulation of Hydroxyl Radical Reactivity and Radical Degradation of High Density Polyethylene. [Internet] [Doctoral dissertation]. Virginia Tech; 2010. [cited 2019 Oct 21]. Available from: http://hdl.handle.net/10919/77137.

Council of Science Editors:

Mitroka SM. Modulation of Hydroxyl Radical Reactivity and Radical Degradation of High Density Polyethylene. [Doctoral Dissertation]. Virginia Tech; 2010. Available from: http://hdl.handle.net/10919/77137


Virginia Tech

10. 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

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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 21, 2019. http://hdl.handle.net/10919/50144.

MLA Handbook (7th Edition):

Zhang, Jinmei. “Accurate Calculations of Molecular Properties with Explicitly Correlated Methods.” 2014. Web. 21 Oct 2019.

Vancouver:

Zhang J. Accurate Calculations of Molecular Properties with Explicitly Correlated Methods. [Internet] [Doctoral dissertation]. Virginia Tech; 2014. [cited 2019 Oct 21]. 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

11. 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

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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 21, 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. 21 Oct 2019.

Vancouver:

McAlexander HR. Local Correlation Approaches and Coupled Cluster Linear Response Theory. [Internet] [Doctoral dissertation]. Virginia Tech; 2015. [cited 2019 Oct 21]. 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

12. 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

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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 21, 2019. http://hdl.handle.net/10919/64301.

MLA Handbook (7th Edition):

Mach, Taylor Joseph. “Accurate Prediction of Chiroptical Properties.” 2014. Web. 21 Oct 2019.

Vancouver:

Mach TJ. Accurate Prediction of Chiroptical Properties. [Internet] [Doctoral dissertation]. Virginia Tech; 2014. [cited 2019 Oct 21]. 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

13. 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

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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 21, 2019. http://hdl.handle.net/10919/82000.

MLA Handbook (7th Edition):

Pavosevic, Fabijan. “Explicitly Correlated Methods for Large Molecular Systems.” 2018. Web. 21 Oct 2019.

Vancouver:

Pavosevic F. Explicitly Correlated Methods for Large Molecular Systems. [Internet] [Doctoral dissertation]. Virginia Tech; 2018. [cited 2019 Oct 21]. 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

14. 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

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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 21, 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. 21 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 21]. 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

15. 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

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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 21, 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. 21 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 21]. 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

16. 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

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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 21, 2019. http://hdl.handle.net/10919/83866.

MLA Handbook (7th Edition):

Lewis, Cannada Andrew. “The Unreasonable Usefulness of Approximation by Linear Combination.” 2018. Web. 21 Oct 2019.

Vancouver:

Lewis CA. The Unreasonable Usefulness of Approximation by Linear Combination. [Internet] [Doctoral dissertation]. Virginia Tech; 2018. [cited 2019 Oct 21]. 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

17. 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

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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 21, 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. 21 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 21]. 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

18. 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

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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 21, 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. 21 Oct 2019.

Vancouver:

Deora N. Computational Studies of Protonated Cyclic Ethers and Benzylic Organolithium Compounds. [Internet] [Doctoral dissertation]. Virginia Tech; 2010. [cited 2019 Oct 21]. 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

19. 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

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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 21, 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. 21 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 21]. 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


Virginia Tech

20. Sim, Jae Hyun. Studies of Interactions Between Rod-like Celulose Nanocrystals and Xylan and Pullulan Derivatives: A Light Scattering Study.

Degree: PhD, Chemistry, 2013, Virginia Tech

 Interactions between polysaccharide derivatives and rod-like cellulose nanocrystals were studied by light scattering. Two replicates of cellulose nanocrystals (DOE-2-12A and DOE-2-12B) were probed with polarized… (more)

Subjects/Keywords: Light Scattering; Cellulose Nanocrystal; Pullulan; Xylan

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APA (6th Edition):

Sim, J. H. (2013). Studies of Interactions Between Rod-like Celulose Nanocrystals and Xylan and Pullulan Derivatives: A Light Scattering Study. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/19215

Chicago Manual of Style (16th Edition):

Sim, Jae Hyun. “Studies of Interactions Between Rod-like Celulose Nanocrystals and Xylan and Pullulan Derivatives: A Light Scattering Study.” 2013. Doctoral Dissertation, Virginia Tech. Accessed October 21, 2019. http://hdl.handle.net/10919/19215.

MLA Handbook (7th Edition):

Sim, Jae Hyun. “Studies of Interactions Between Rod-like Celulose Nanocrystals and Xylan and Pullulan Derivatives: A Light Scattering Study.” 2013. Web. 21 Oct 2019.

Vancouver:

Sim JH. Studies of Interactions Between Rod-like Celulose Nanocrystals and Xylan and Pullulan Derivatives: A Light Scattering Study. [Internet] [Doctoral dissertation]. Virginia Tech; 2013. [cited 2019 Oct 21]. Available from: http://hdl.handle.net/10919/19215.

Council of Science Editors:

Sim JH. Studies of Interactions Between Rod-like Celulose Nanocrystals and Xylan and Pullulan Derivatives: A Light Scattering Study. [Doctoral Dissertation]. Virginia Tech; 2013. Available from: http://hdl.handle.net/10919/19215


Virginia Tech

21. Kittle, Joshua Daniel. Characterization of Cellulose and Chitin Thin Films and Their Interactions with Bio-based Polymers.

Degree: PhD, Chemistry, 2012, Virginia Tech

 As the two most abundant natural polymers on earth, cellulose and chitin have attracted increasing attention as a source of renewable energy and functional materials.… (more)

Subjects/Keywords: Chitin; Cellulose; Surface Plasmon Resonance; Quartz Crystal Microbalance; Xyloglucan; Dextran

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APA (6th Edition):

Kittle, J. D. (2012). Characterization of Cellulose and Chitin Thin Films and Their Interactions with Bio-based Polymers. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/26806

Chicago Manual of Style (16th Edition):

Kittle, Joshua Daniel. “Characterization of Cellulose and Chitin Thin Films and Their Interactions with Bio-based Polymers.” 2012. Doctoral Dissertation, Virginia Tech. Accessed October 21, 2019. http://hdl.handle.net/10919/26806.

MLA Handbook (7th Edition):

Kittle, Joshua Daniel. “Characterization of Cellulose and Chitin Thin Films and Their Interactions with Bio-based Polymers.” 2012. Web. 21 Oct 2019.

Vancouver:

Kittle JD. Characterization of Cellulose and Chitin Thin Films and Their Interactions with Bio-based Polymers. [Internet] [Doctoral dissertation]. Virginia Tech; 2012. [cited 2019 Oct 21]. Available from: http://hdl.handle.net/10919/26806.

Council of Science Editors:

Kittle JD. Characterization of Cellulose and Chitin Thin Films and Their Interactions with Bio-based Polymers. [Doctoral Dissertation]. Virginia Tech; 2012. Available from: http://hdl.handle.net/10919/26806


Virginia Tech

22. Abelard, Joshua Erold Robert. Temperature Programmed Desorption and Infrared Spectroscopic Studies of Interfacial Hydrogen Bonds for Small Molecules Adsorbed on Silica and Within Metal Organic Frameworks.

Degree: PhD, Chemistry, 2017, Virginia Tech

 Hydrogen bonds are arguably the most important reversible intermolecular forces. However, surprisingly few studies of their fundamental nature at the gas-surface interface have been performed.… (more)

Subjects/Keywords: silica; desorption; MOF; hydrogen bond; surface; spectroscopic; TPD

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APA (6th Edition):

Abelard, J. E. R. (2017). Temperature Programmed Desorption and Infrared Spectroscopic Studies of Interfacial Hydrogen Bonds for Small Molecules Adsorbed on Silica and Within Metal Organic Frameworks. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/77660

Chicago Manual of Style (16th Edition):

Abelard, Joshua Erold Robert. “Temperature Programmed Desorption and Infrared Spectroscopic Studies of Interfacial Hydrogen Bonds for Small Molecules Adsorbed on Silica and Within Metal Organic Frameworks.” 2017. Doctoral Dissertation, Virginia Tech. Accessed October 21, 2019. http://hdl.handle.net/10919/77660.

MLA Handbook (7th Edition):

Abelard, Joshua Erold Robert. “Temperature Programmed Desorption and Infrared Spectroscopic Studies of Interfacial Hydrogen Bonds for Small Molecules Adsorbed on Silica and Within Metal Organic Frameworks.” 2017. Web. 21 Oct 2019.

Vancouver:

Abelard JER. Temperature Programmed Desorption and Infrared Spectroscopic Studies of Interfacial Hydrogen Bonds for Small Molecules Adsorbed on Silica and Within Metal Organic Frameworks. [Internet] [Doctoral dissertation]. Virginia Tech; 2017. [cited 2019 Oct 21]. Available from: http://hdl.handle.net/10919/77660.

Council of Science Editors:

Abelard JER. Temperature Programmed Desorption and Infrared Spectroscopic Studies of Interfacial Hydrogen Bonds for Small Molecules Adsorbed on Silica and Within Metal Organic Frameworks. [Doctoral Dissertation]. Virginia Tech; 2017. Available from: http://hdl.handle.net/10919/77660

23. Zhang, Yafen. Ultrahigh Vacuum Studies of the Reaction Kinetics and Mechanisms of Nitrate Radical with Model Organic Surfaces.

Degree: PhD, Chemistry, 2015, Virginia Tech

 Detailed understanding of the kinetics and mechanisms of heterogeneous reactions between gas-phase nitrate radicals, a key nighttime atmospheric oxidant, and organic particles will enable scientists… (more)

Subjects/Keywords: Nitrate radicals; Organic surfaces; Self-assembled monolayers; Ultra-high vacuum; Reaction probability; Organic nitrates

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APA (6th Edition):

Zhang, Y. (2015). Ultrahigh Vacuum Studies of the Reaction Kinetics and Mechanisms of Nitrate Radical with Model Organic Surfaces. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/78003

Chicago Manual of Style (16th Edition):

Zhang, Yafen. “Ultrahigh Vacuum Studies of the Reaction Kinetics and Mechanisms of Nitrate Radical with Model Organic Surfaces.” 2015. Doctoral Dissertation, Virginia Tech. Accessed October 21, 2019. http://hdl.handle.net/10919/78003.

MLA Handbook (7th Edition):

Zhang, Yafen. “Ultrahigh Vacuum Studies of the Reaction Kinetics and Mechanisms of Nitrate Radical with Model Organic Surfaces.” 2015. Web. 21 Oct 2019.

Vancouver:

Zhang Y. Ultrahigh Vacuum Studies of the Reaction Kinetics and Mechanisms of Nitrate Radical with Model Organic Surfaces. [Internet] [Doctoral dissertation]. Virginia Tech; 2015. [cited 2019 Oct 21]. Available from: http://hdl.handle.net/10919/78003.

Council of Science Editors:

Zhang Y. Ultrahigh Vacuum Studies of the Reaction Kinetics and Mechanisms of Nitrate Radical with Model Organic Surfaces. [Doctoral Dissertation]. Virginia Tech; 2015. Available from: http://hdl.handle.net/10919/78003


Virginia Tech

24. Davis, Erin Durke. Ultrahigh Vacuum Studies of the Kinetics and Reaction Mechanisms of Ozone with Surface-Bound Fullerenes.

Degree: PhD, Chemistry, 2011, Virginia Tech

 Acquiring in depth knowledge of the ozone oxidation of surface-bound fullerenes advances the understanding of fullerene fate in the environment, as well as the reactivity… (more)

Subjects/Keywords: fullerenes; ozone; C60; ozonolysis; ultrahigh vaccum; endohedrals

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APA (6th Edition):

Davis, E. D. (2011). Ultrahigh Vacuum Studies of the Kinetics and Reaction Mechanisms of Ozone with Surface-Bound Fullerenes. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/40278

Chicago Manual of Style (16th Edition):

Davis, Erin Durke. “Ultrahigh Vacuum Studies of the Kinetics and Reaction Mechanisms of Ozone with Surface-Bound Fullerenes.” 2011. Doctoral Dissertation, Virginia Tech. Accessed October 21, 2019. http://hdl.handle.net/10919/40278.

MLA Handbook (7th Edition):

Davis, Erin Durke. “Ultrahigh Vacuum Studies of the Kinetics and Reaction Mechanisms of Ozone with Surface-Bound Fullerenes.” 2011. Web. 21 Oct 2019.

Vancouver:

Davis ED. Ultrahigh Vacuum Studies of the Kinetics and Reaction Mechanisms of Ozone with Surface-Bound Fullerenes. [Internet] [Doctoral dissertation]. Virginia Tech; 2011. [cited 2019 Oct 21]. Available from: http://hdl.handle.net/10919/40278.

Council of Science Editors:

Davis ED. Ultrahigh Vacuum Studies of the Kinetics and Reaction Mechanisms of Ozone with Surface-Bound Fullerenes. [Doctoral Dissertation]. Virginia Tech; 2011. Available from: http://hdl.handle.net/10919/40278


Virginia Tech

25. Zhang, Zhiyang. Probing Transport of Ion Dense Electrolytes using Electrophoretic NMR.

Degree: PhD, Chemistry, 2013, Virginia Tech

 Ion transport of electrolytes determines the performance of many electroactive devices, from fuel cells to batteries to soft mechanical actuators. This dissertation aims to address… (more)

Subjects/Keywords: transport; electrophoretic NMR; electrophoretic mobility; conductivity

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APA (6th Edition):

Zhang, Z. (2013). Probing Transport of Ion Dense Electrolytes using Electrophoretic NMR. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/51966

Chicago Manual of Style (16th Edition):

Zhang, Zhiyang. “Probing Transport of Ion Dense Electrolytes using Electrophoretic NMR.” 2013. Doctoral Dissertation, Virginia Tech. Accessed October 21, 2019. http://hdl.handle.net/10919/51966.

MLA Handbook (7th Edition):

Zhang, Zhiyang. “Probing Transport of Ion Dense Electrolytes using Electrophoretic NMR.” 2013. Web. 21 Oct 2019.

Vancouver:

Zhang Z. Probing Transport of Ion Dense Electrolytes using Electrophoretic NMR. [Internet] [Doctoral dissertation]. Virginia Tech; 2013. [cited 2019 Oct 21]. Available from: http://hdl.handle.net/10919/51966.

Council of Science Editors:

Zhang Z. Probing Transport of Ion Dense Electrolytes using Electrophoretic NMR. [Doctoral Dissertation]. Virginia Tech; 2013. Available from: http://hdl.handle.net/10919/51966


Virginia Tech

26. Spencer, Jared Nathaniel. Reductive and oxidative dissociative electron transfers: transition between the concerted and stepwise mechanistic pathways.

Degree: PhD, Chemistry, 2016, Virginia Tech

 The dissociative electron transfer reactions of a series of α-epoxyketones and tetra-n-butylammonium acetate have been examined by electrochemical and computational techniques. Results for both the… (more)

Subjects/Keywords: Dissociative electron transfer; Epoxyketones; Radical ions; Radical rearrangements

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APA (6th Edition):

Spencer, J. N. (2016). Reductive and oxidative dissociative electron transfers: transition between the concerted and stepwise mechanistic pathways. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/70920

Chicago Manual of Style (16th Edition):

Spencer, Jared Nathaniel. “Reductive and oxidative dissociative electron transfers: transition between the concerted and stepwise mechanistic pathways.” 2016. Doctoral Dissertation, Virginia Tech. Accessed October 21, 2019. http://hdl.handle.net/10919/70920.

MLA Handbook (7th Edition):

Spencer, Jared Nathaniel. “Reductive and oxidative dissociative electron transfers: transition between the concerted and stepwise mechanistic pathways.” 2016. Web. 21 Oct 2019.

Vancouver:

Spencer JN. Reductive and oxidative dissociative electron transfers: transition between the concerted and stepwise mechanistic pathways. [Internet] [Doctoral dissertation]. Virginia Tech; 2016. [cited 2019 Oct 21]. Available from: http://hdl.handle.net/10919/70920.

Council of Science Editors:

Spencer JN. Reductive and oxidative dissociative electron transfers: transition between the concerted and stepwise mechanistic pathways. [Doctoral Dissertation]. Virginia Tech; 2016. Available from: http://hdl.handle.net/10919/70920


Virginia Tech

27. Hancock, Amber N. A Radical Approach to Syntheses and Mechanisms.

Degree: PhD, Chemistry, 2011, Virginia Tech

 The critically important nature of radical and radical ion mechanisms in biology and chemistry continues to be recognized as our understanding of these unique transient… (more)

Subjects/Keywords: Carboxylate; Deprotonation; Electron Transfer; Radical Cyclization; Homolytic Substitution; Selenium; Radical Trap; Rate Constant; Deuterium Isotope Effect; Arrhenius Parameter; N; Mechanism; Kinetics; Cyclic Voltammetry; Constant Potential Coulometry; Competition Kinetics.; Amine Radical Cation; N-dimethylaniline; Digital Simulations; Laser Flash Photolysis

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APA (6th Edition):

Hancock, A. N. (2011). A Radical Approach to Syntheses and Mechanisms. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/77139

Chicago Manual of Style (16th Edition):

Hancock, Amber N. “A Radical Approach to Syntheses and Mechanisms.” 2011. Doctoral Dissertation, Virginia Tech. Accessed October 21, 2019. http://hdl.handle.net/10919/77139.

MLA Handbook (7th Edition):

Hancock, Amber N. “A Radical Approach to Syntheses and Mechanisms.” 2011. Web. 21 Oct 2019.

Vancouver:

Hancock AN. A Radical Approach to Syntheses and Mechanisms. [Internet] [Doctoral dissertation]. Virginia Tech; 2011. [cited 2019 Oct 21]. Available from: http://hdl.handle.net/10919/77139.

Council of Science Editors:

Hancock AN. A Radical Approach to Syntheses and Mechanisms. [Doctoral Dissertation]. Virginia Tech; 2011. Available from: http://hdl.handle.net/10919/77139

28. 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

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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 21, 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. 21 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 21]. 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

29. Kittle, Joshua D. Quartz Crystal Microbalance Studies of Dimethyl Methylphosphonate Sorption Into Trisilanolphenyl-Poss Films.

Degree: MS, Chemistry, 2006, Virginia Tech

 Developing methods to detect, adsorb, and decompose chemical warfare agents (CWAs) is of critical importance to protecting military and civilian populations alike. The sorption of… (more)

Subjects/Keywords: chemical warfare agent simulant; quartz crystal microbalance; trisilanolphenyl-POSS; Langmuir-Blodgett film

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APA (6th Edition):

Kittle, J. D. (2006). Quartz Crystal Microbalance Studies of Dimethyl Methylphosphonate Sorption Into Trisilanolphenyl-Poss Films. (Masters Thesis). Virginia Tech. Retrieved from http://hdl.handle.net/10919/35688

Chicago Manual of Style (16th Edition):

Kittle, Joshua D. “Quartz Crystal Microbalance Studies of Dimethyl Methylphosphonate Sorption Into Trisilanolphenyl-Poss Films.” 2006. Masters Thesis, Virginia Tech. Accessed October 21, 2019. http://hdl.handle.net/10919/35688.

MLA Handbook (7th Edition):

Kittle, Joshua D. “Quartz Crystal Microbalance Studies of Dimethyl Methylphosphonate Sorption Into Trisilanolphenyl-Poss Films.” 2006. Web. 21 Oct 2019.

Vancouver:

Kittle JD. Quartz Crystal Microbalance Studies of Dimethyl Methylphosphonate Sorption Into Trisilanolphenyl-Poss Films. [Internet] [Masters thesis]. Virginia Tech; 2006. [cited 2019 Oct 21]. Available from: http://hdl.handle.net/10919/35688.

Council of Science Editors:

Kittle JD. Quartz Crystal Microbalance Studies of Dimethyl Methylphosphonate Sorption Into Trisilanolphenyl-Poss Films. [Masters Thesis]. Virginia Tech; 2006. Available from: http://hdl.handle.net/10919/35688


Virginia Tech

30. Bennett, Megan. Energy Transfer Dynamics in Collisions of Polar and Non-polar Gases with Functionalized Self-Assembled Monolayers.

Degree: MS, Chemistry, 2007, Virginia Tech

 Molecular beam scattering experiments are used to investigate the extent of thermal accommodation of Ne, CD4, ND3, and D2O in collisions with long chain CH3,… (more)

Subjects/Keywords: Energy Transfer Dynamics; Functionalized SAMs; Molecular Beam

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APA (6th Edition):

Bennett, M. (2007). Energy Transfer Dynamics in Collisions of Polar and Non-polar Gases with Functionalized Self-Assembled Monolayers. (Masters Thesis). Virginia Tech. Retrieved from http://hdl.handle.net/10919/33229

Chicago Manual of Style (16th Edition):

Bennett, Megan. “Energy Transfer Dynamics in Collisions of Polar and Non-polar Gases with Functionalized Self-Assembled Monolayers.” 2007. Masters Thesis, Virginia Tech. Accessed October 21, 2019. http://hdl.handle.net/10919/33229.

MLA Handbook (7th Edition):

Bennett, Megan. “Energy Transfer Dynamics in Collisions of Polar and Non-polar Gases with Functionalized Self-Assembled Monolayers.” 2007. Web. 21 Oct 2019.

Vancouver:

Bennett M. Energy Transfer Dynamics in Collisions of Polar and Non-polar Gases with Functionalized Self-Assembled Monolayers. [Internet] [Masters thesis]. Virginia Tech; 2007. [cited 2019 Oct 21]. Available from: http://hdl.handle.net/10919/33229.

Council of Science Editors:

Bennett M. Energy Transfer Dynamics in Collisions of Polar and Non-polar Gases with Functionalized Self-Assembled Monolayers. [Masters Thesis]. Virginia Tech; 2007. Available from: http://hdl.handle.net/10919/33229

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