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You searched for +publisher:"Dalhousie University" +contributor:("Donald F. Weaver"). Showing records 1 – 7 of 7 total matches.

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Dalhousie University

1. Kannemann, Felix Oliver. Development And Benchmarking Of A Semilocal Density-Functional Approximation Including Dispersion.

Degree: PhD, Department of Chemistry, 2013, Dalhousie University

 Density-functional theory has become an indispensible tool for studying matter on the atomic level, being routinely applied across diverse disciplines from solid-state physics to chemistry… (more)

Subjects/Keywords: Density-functional theory; dispersion; noncovalent interactions; quantum chemistry; computational chemistry; electronic structure theory

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

APA (6th Edition):

Kannemann, F. O. (2013). Development And Benchmarking Of A Semilocal Density-Functional Approximation Including Dispersion. (Doctoral Dissertation). Dalhousie University. Retrieved from http://hdl.handle.net/10222/21434

Chicago Manual of Style (16th Edition):

Kannemann, Felix Oliver. “Development And Benchmarking Of A Semilocal Density-Functional Approximation Including Dispersion.” 2013. Doctoral Dissertation, Dalhousie University. Accessed July 12, 2020. http://hdl.handle.net/10222/21434.

MLA Handbook (7th Edition):

Kannemann, Felix Oliver. “Development And Benchmarking Of A Semilocal Density-Functional Approximation Including Dispersion.” 2013. Web. 12 Jul 2020.

Vancouver:

Kannemann FO. Development And Benchmarking Of A Semilocal Density-Functional Approximation Including Dispersion. [Internet] [Doctoral dissertation]. Dalhousie University; 2013. [cited 2020 Jul 12]. Available from: http://hdl.handle.net/10222/21434.

Council of Science Editors:

Kannemann FO. Development And Benchmarking Of A Semilocal Density-Functional Approximation Including Dispersion. [Doctoral Dissertation]. Dalhousie University; 2013. Available from: http://hdl.handle.net/10222/21434


Dalhousie University

2. Taylor, Alexis. Theoretical Investigations of Non-Covalent Interactions: From Small Water Clusters to Large DNA Quadruplexes.

Degree: PhD, Department of Chemistry, 2010, Dalhousie University

 The chemical bonds that hold molecules together are composed of electrons, and in order to study these microscopic systems, electronic structure calculations are often employed.… (more)

Subjects/Keywords: Computational chemistry; ab initio; DFT; solvated electron; guanine quadruplexes

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APA (6th Edition):

Taylor, A. (2010). Theoretical Investigations of Non-Covalent Interactions: From Small Water Clusters to Large DNA Quadruplexes. (Doctoral Dissertation). Dalhousie University. Retrieved from http://hdl.handle.net/10222/12736

Chicago Manual of Style (16th Edition):

Taylor, Alexis. “Theoretical Investigations of Non-Covalent Interactions: From Small Water Clusters to Large DNA Quadruplexes.” 2010. Doctoral Dissertation, Dalhousie University. Accessed July 12, 2020. http://hdl.handle.net/10222/12736.

MLA Handbook (7th Edition):

Taylor, Alexis. “Theoretical Investigations of Non-Covalent Interactions: From Small Water Clusters to Large DNA Quadruplexes.” 2010. Web. 12 Jul 2020.

Vancouver:

Taylor A. Theoretical Investigations of Non-Covalent Interactions: From Small Water Clusters to Large DNA Quadruplexes. [Internet] [Doctoral dissertation]. Dalhousie University; 2010. [cited 2020 Jul 12]. Available from: http://hdl.handle.net/10222/12736.

Council of Science Editors:

Taylor A. Theoretical Investigations of Non-Covalent Interactions: From Small Water Clusters to Large DNA Quadruplexes. [Doctoral Dissertation]. Dalhousie University; 2010. Available from: http://hdl.handle.net/10222/12736


Dalhousie University

3. Bohorquez, Hugo J. Local Quantum Chemistry.

Degree: PhD, Department of Chemistry, 2012, Dalhousie University

 The single-particle momentum is studied as a tool for the visualization of the electronic regions in atoms and molecules. The limiting values of this function… (more)

Subjects/Keywords: Chemical bond; electron density; atoms in molecules; amino acids

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APA (6th Edition):

Bohorquez, H. J. (2012). Local Quantum Chemistry. (Doctoral Dissertation). Dalhousie University. Retrieved from http://hdl.handle.net/10222/15488

Chicago Manual of Style (16th Edition):

Bohorquez, Hugo J. “Local Quantum Chemistry.” 2012. Doctoral Dissertation, Dalhousie University. Accessed July 12, 2020. http://hdl.handle.net/10222/15488.

MLA Handbook (7th Edition):

Bohorquez, Hugo J. “Local Quantum Chemistry.” 2012. Web. 12 Jul 2020.

Vancouver:

Bohorquez HJ. Local Quantum Chemistry. [Internet] [Doctoral dissertation]. Dalhousie University; 2012. [cited 2020 Jul 12]. Available from: http://hdl.handle.net/10222/15488.

Council of Science Editors:

Bohorquez HJ. Local Quantum Chemistry. [Doctoral Dissertation]. Dalhousie University; 2012. Available from: http://hdl.handle.net/10222/15488


Dalhousie University

4. Martin, Erin. The behaviour of neurologic water during axonal and synaptic neurotransmission: An in silico study.

Degree: MS, Department of Chemistry, 2011, Dalhousie University

 Water is known to take on highly organized structures to influence the reactivity of chemical and biological systems; despite this, water is often only implicitly… (more)

Subjects/Keywords: Molecular dynamics; Car-Parrinello Molecular Dynamics; Myelin sheath; Gamma-aminobutyric acid; Acetylcholine; Water

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APA (6th Edition):

Martin, E. (2011). The behaviour of neurologic water during axonal and synaptic neurotransmission: An in silico study. (Masters Thesis). Dalhousie University. Retrieved from http://hdl.handle.net/10222/14091

Chicago Manual of Style (16th Edition):

Martin, Erin. “The behaviour of neurologic water during axonal and synaptic neurotransmission: An in silico study.” 2011. Masters Thesis, Dalhousie University. Accessed July 12, 2020. http://hdl.handle.net/10222/14091.

MLA Handbook (7th Edition):

Martin, Erin. “The behaviour of neurologic water during axonal and synaptic neurotransmission: An in silico study.” 2011. Web. 12 Jul 2020.

Vancouver:

Martin E. The behaviour of neurologic water during axonal and synaptic neurotransmission: An in silico study. [Internet] [Masters thesis]. Dalhousie University; 2011. [cited 2020 Jul 12]. Available from: http://hdl.handle.net/10222/14091.

Council of Science Editors:

Martin E. The behaviour of neurologic water during axonal and synaptic neurotransmission: An in silico study. [Masters Thesis]. Dalhousie University; 2011. Available from: http://hdl.handle.net/10222/14091


Dalhousie University

5. Arabi, Alya A. Density Functional Theory: Dispersion Interactions & Biological Applications.

Degree: PhD, Department of Chemistry, 2012, Dalhousie University

 London or dispersion interactions are weak van der Waals (vdW) interactions. They are important in determining the structure and properties of many chemical and biochemical… (more)

Subjects/Keywords: Density Functional Theory; dispersion interactions; van der Waals complexes; electric fields; DNA base pairs; double proton transfer

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APA (6th Edition):

Arabi, A. A. (2012). Density Functional Theory: Dispersion Interactions & Biological Applications. (Doctoral Dissertation). Dalhousie University. Retrieved from http://hdl.handle.net/10222/15525

Chicago Manual of Style (16th Edition):

Arabi, Alya A. “Density Functional Theory: Dispersion Interactions & Biological Applications.” 2012. Doctoral Dissertation, Dalhousie University. Accessed July 12, 2020. http://hdl.handle.net/10222/15525.

MLA Handbook (7th Edition):

Arabi, Alya A. “Density Functional Theory: Dispersion Interactions & Biological Applications.” 2012. Web. 12 Jul 2020.

Vancouver:

Arabi AA. Density Functional Theory: Dispersion Interactions & Biological Applications. [Internet] [Doctoral dissertation]. Dalhousie University; 2012. [cited 2020 Jul 12]. Available from: http://hdl.handle.net/10222/15525.

Council of Science Editors:

Arabi AA. Density Functional Theory: Dispersion Interactions & Biological Applications. [Doctoral Dissertation]. Dalhousie University; 2012. Available from: http://hdl.handle.net/10222/15525

6. Heverly-Coulson, Gavin. COMPUTATIONAL MODEL OF THE CATALYTIC CYCLE OF ORGANOSELENIUM ANTIOXIDANTS.

Degree: PhD, Department of Chemistry, 2012, Dalhousie University

 The chemistry of the enzyme glutathione peroxidase and synthetic organoselenium enzyme mimics has been a significant research interest for more than three decades. In this… (more)

Subjects/Keywords: Computational Chemistry; Organoselenium; Glutathione Peroxidase; Glutathione Peroxidase Mimic

…and Dalhousie University are thanked for their generous financial support during my time at… …Dalhousie University. Additionally, thanks are given to ACEnet for the use of their computing… 

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APA (6th Edition):

Heverly-Coulson, G. (2012). COMPUTATIONAL MODEL OF THE CATALYTIC CYCLE OF ORGANOSELENIUM ANTIOXIDANTS. (Doctoral Dissertation). Dalhousie University. Retrieved from http://hdl.handle.net/10222/15141

Chicago Manual of Style (16th Edition):

Heverly-Coulson, Gavin. “COMPUTATIONAL MODEL OF THE CATALYTIC CYCLE OF ORGANOSELENIUM ANTIOXIDANTS.” 2012. Doctoral Dissertation, Dalhousie University. Accessed July 12, 2020. http://hdl.handle.net/10222/15141.

MLA Handbook (7th Edition):

Heverly-Coulson, Gavin. “COMPUTATIONAL MODEL OF THE CATALYTIC CYCLE OF ORGANOSELENIUM ANTIOXIDANTS.” 2012. Web. 12 Jul 2020.

Vancouver:

Heverly-Coulson G. COMPUTATIONAL MODEL OF THE CATALYTIC CYCLE OF ORGANOSELENIUM ANTIOXIDANTS. [Internet] [Doctoral dissertation]. Dalhousie University; 2012. [cited 2020 Jul 12]. Available from: http://hdl.handle.net/10222/15141.

Council of Science Editors:

Heverly-Coulson G. COMPUTATIONAL MODEL OF THE CATALYTIC CYCLE OF ORGANOSELENIUM ANTIOXIDANTS. [Doctoral Dissertation]. Dalhousie University; 2012. Available from: http://hdl.handle.net/10222/15141

7. Crawford, Sarah M. Dipyrrins, Pyrrolyldipyrrins, Prodigiosenes and Their Complexes.

Degree: PhD, Department of Chemistry, 2012, Dalhousie University

 Dipyrrins, pyrrolyldipyrrins and prodigiosenes are a closely related series of molecules: pyrrolyldipyrrins are dipyrrins with a pyrrolic substituent and prodigiosenes are a special class of… (more)

Subjects/Keywords: Dipyrrins; Pyrrolyldipyrrins; Prodigiosenes

…research was provided by the Natural Sciences and Research Council of Canada and Dalhousie… …University. In addition, I am indebted to several members of the Department of Chemistry and would… 

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APA (6th Edition):

Crawford, S. M. (2012). Dipyrrins, Pyrrolyldipyrrins, Prodigiosenes and Their Complexes. (Doctoral Dissertation). Dalhousie University. Retrieved from http://hdl.handle.net/10222/15864

Chicago Manual of Style (16th Edition):

Crawford, Sarah M. “Dipyrrins, Pyrrolyldipyrrins, Prodigiosenes and Their Complexes.” 2012. Doctoral Dissertation, Dalhousie University. Accessed July 12, 2020. http://hdl.handle.net/10222/15864.

MLA Handbook (7th Edition):

Crawford, Sarah M. “Dipyrrins, Pyrrolyldipyrrins, Prodigiosenes and Their Complexes.” 2012. Web. 12 Jul 2020.

Vancouver:

Crawford SM. Dipyrrins, Pyrrolyldipyrrins, Prodigiosenes and Their Complexes. [Internet] [Doctoral dissertation]. Dalhousie University; 2012. [cited 2020 Jul 12]. Available from: http://hdl.handle.net/10222/15864.

Council of Science Editors:

Crawford SM. Dipyrrins, Pyrrolyldipyrrins, Prodigiosenes and Their Complexes. [Doctoral Dissertation]. Dalhousie University; 2012. Available from: http://hdl.handle.net/10222/15864

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