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You searched for subject:(Bond breaking). Showing records 1 – 7 of 7 total matches.

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University of California – Berkeley

1. Lawler, Keith Vanoy. Advances in Generalized Valence Bond-Coupled Cluster Methods for Electronic Structure Theory.

Degree: Chemistry, 2009, University of California – Berkeley

 The electron-electron correlation term in the electronic energy of a molecule is the most difficult term to compute, yet it is of both qualitative and… (more)

Subjects/Keywords: Chemistry, Physical; Coupled Cluster; Generalized Valence Bond; Orbital Optimization; Perfect Pairing; Symmetry Breaking; Unrestriction

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

APA (6th Edition):

Lawler, K. V. (2009). Advances in Generalized Valence Bond-Coupled Cluster Methods for Electronic Structure Theory. (Thesis). University of California – Berkeley. Retrieved from http://www.escholarship.org/uc/item/2j7526xc

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Lawler, Keith Vanoy. “Advances in Generalized Valence Bond-Coupled Cluster Methods for Electronic Structure Theory.” 2009. Thesis, University of California – Berkeley. Accessed January 27, 2021. http://www.escholarship.org/uc/item/2j7526xc.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Lawler, Keith Vanoy. “Advances in Generalized Valence Bond-Coupled Cluster Methods for Electronic Structure Theory.” 2009. Web. 27 Jan 2021.

Vancouver:

Lawler KV. Advances in Generalized Valence Bond-Coupled Cluster Methods for Electronic Structure Theory. [Internet] [Thesis]. University of California – Berkeley; 2009. [cited 2021 Jan 27]. Available from: http://www.escholarship.org/uc/item/2j7526xc.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Lawler KV. Advances in Generalized Valence Bond-Coupled Cluster Methods for Electronic Structure Theory. [Thesis]. University of California – Berkeley; 2009. Available from: http://www.escholarship.org/uc/item/2j7526xc

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


Clemson University

2. Annapaneni, Puroorava. MOLECULAR DYNAMICS STUDY OF PARTICLE IMPACT INDUCED BOND BREAKING OF SINGLE-WALLED CARBON NANOTUBES AND QUALITY FACTORS OF NANOCOMPOSITE STRUCTURES.

Degree: MS, Mechanical Engineering, 2011, Clemson University

 Part A Injection of particles to the side wall of single-walled carbon nanotubes (SWCNT) has been employed for doping and storage of particles on SWCNTs.… (more)

Subjects/Keywords: bond breaking; Carbon nanotubes; collision dynamics; molecular dynamics; nanocomposites; quality factors; Mechanical Engineering

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APA (6th Edition):

Annapaneni, P. (2011). MOLECULAR DYNAMICS STUDY OF PARTICLE IMPACT INDUCED BOND BREAKING OF SINGLE-WALLED CARBON NANOTUBES AND QUALITY FACTORS OF NANOCOMPOSITE STRUCTURES. (Masters Thesis). Clemson University. Retrieved from https://tigerprints.clemson.edu/all_theses/1163

Chicago Manual of Style (16th Edition):

Annapaneni, Puroorava. “MOLECULAR DYNAMICS STUDY OF PARTICLE IMPACT INDUCED BOND BREAKING OF SINGLE-WALLED CARBON NANOTUBES AND QUALITY FACTORS OF NANOCOMPOSITE STRUCTURES.” 2011. Masters Thesis, Clemson University. Accessed January 27, 2021. https://tigerprints.clemson.edu/all_theses/1163.

MLA Handbook (7th Edition):

Annapaneni, Puroorava. “MOLECULAR DYNAMICS STUDY OF PARTICLE IMPACT INDUCED BOND BREAKING OF SINGLE-WALLED CARBON NANOTUBES AND QUALITY FACTORS OF NANOCOMPOSITE STRUCTURES.” 2011. Web. 27 Jan 2021.

Vancouver:

Annapaneni P. MOLECULAR DYNAMICS STUDY OF PARTICLE IMPACT INDUCED BOND BREAKING OF SINGLE-WALLED CARBON NANOTUBES AND QUALITY FACTORS OF NANOCOMPOSITE STRUCTURES. [Internet] [Masters thesis]. Clemson University; 2011. [cited 2021 Jan 27]. Available from: https://tigerprints.clemson.edu/all_theses/1163.

Council of Science Editors:

Annapaneni P. MOLECULAR DYNAMICS STUDY OF PARTICLE IMPACT INDUCED BOND BREAKING OF SINGLE-WALLED CARBON NANOTUBES AND QUALITY FACTORS OF NANOCOMPOSITE STRUCTURES. [Masters Thesis]. Clemson University; 2011. Available from: https://tigerprints.clemson.edu/all_theses/1163


Georgia Tech

3. Bochevarov, Artem D. Hybrid Correlation Models For Bond Breaking Based On Active Space Partitioning.

Degree: PhD, Chemistry and Biochemistry, 2006, Georgia Tech

 The work presented in this thesis is dedicated to developing inexpensive quantum-chemical models that are able to produce smooth and physically correct potential energy curves… (more)

Subjects/Keywords: Nuclear orbitals; Lowdin's partitioning technique; Goldstone diagrammatic technique; Coupled cluster theory; Moller-Plesset perturbation theory; Bond breaking

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APA (6th Edition):

Bochevarov, A. D. (2006). Hybrid Correlation Models For Bond Breaking Based On Active Space Partitioning. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/11593

Chicago Manual of Style (16th Edition):

Bochevarov, Artem D. “Hybrid Correlation Models For Bond Breaking Based On Active Space Partitioning.” 2006. Doctoral Dissertation, Georgia Tech. Accessed January 27, 2021. http://hdl.handle.net/1853/11593.

MLA Handbook (7th Edition):

Bochevarov, Artem D. “Hybrid Correlation Models For Bond Breaking Based On Active Space Partitioning.” 2006. Web. 27 Jan 2021.

Vancouver:

Bochevarov AD. Hybrid Correlation Models For Bond Breaking Based On Active Space Partitioning. [Internet] [Doctoral dissertation]. Georgia Tech; 2006. [cited 2021 Jan 27]. Available from: http://hdl.handle.net/1853/11593.

Council of Science Editors:

Bochevarov AD. Hybrid Correlation Models For Bond Breaking Based On Active Space Partitioning. [Doctoral Dissertation]. Georgia Tech; 2006. Available from: http://hdl.handle.net/1853/11593

4. Asali, Khalil Jamil. Sites of Reactivity During Ligand-Exchange Reactions in Octahedral Group VIB Metal Carbonyls.

Degree: 1979, North Texas State University

 The site of initial metal-carbonyl bond-breaking during ligand-exchange reactions in a series of octahedral metal carbonyls of the type (L2)M(CO)4 (M = Cr, Mo, W;… (more)

Subjects/Keywords: liquid-exchange reactions; metal-carbonyl bond-breaking; octahedral metal carbonyls; Chemical bonds.; Exchange reactions.; Metal carbonyls.; Metal carbonyls  – Spectra.

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APA (6th Edition):

Asali, K. J. (1979). Sites of Reactivity During Ligand-Exchange Reactions in Octahedral Group VIB Metal Carbonyls. (Thesis). North Texas State University. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc330718/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Asali, Khalil Jamil. “Sites of Reactivity During Ligand-Exchange Reactions in Octahedral Group VIB Metal Carbonyls.” 1979. Thesis, North Texas State University. Accessed January 27, 2021. https://digital.library.unt.edu/ark:/67531/metadc330718/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Asali, Khalil Jamil. “Sites of Reactivity During Ligand-Exchange Reactions in Octahedral Group VIB Metal Carbonyls.” 1979. Web. 27 Jan 2021.

Vancouver:

Asali KJ. Sites of Reactivity During Ligand-Exchange Reactions in Octahedral Group VIB Metal Carbonyls. [Internet] [Thesis]. North Texas State University; 1979. [cited 2021 Jan 27]. Available from: https://digital.library.unt.edu/ark:/67531/metadc330718/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Asali KJ. Sites of Reactivity During Ligand-Exchange Reactions in Octahedral Group VIB Metal Carbonyls. [Thesis]. North Texas State University; 1979. Available from: https://digital.library.unt.edu/ark:/67531/metadc330718/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


Georgia Tech

5. Sears, John Steven. Minimalistic Descriptions of Nondynamical Electron Correlation: From Bond-Breaking to Transition-Metal Catalysis.

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

 From a theoretical standpoint, the accurate description of potential energy surfaces for bond breaking and the equilibrium structures of metal-ligand catalysts are distinctly similar problems.… (more)

Subjects/Keywords: CASPT3; CASPT2; Multi-reference; DFT; CASSCF; Transition-metal; Bond-breaking; Theory; Electronic structure; Ligands; Transition metal complexes; Mathematical models; Chemistry, Physical and theoretical

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

APA (6th Edition):

Sears, J. S. (2007). Minimalistic Descriptions of Nondynamical Electron Correlation: From Bond-Breaking to Transition-Metal Catalysis. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/19807

Chicago Manual of Style (16th Edition):

Sears, John Steven. “Minimalistic Descriptions of Nondynamical Electron Correlation: From Bond-Breaking to Transition-Metal Catalysis.” 2007. Doctoral Dissertation, Georgia Tech. Accessed January 27, 2021. http://hdl.handle.net/1853/19807.

MLA Handbook (7th Edition):

Sears, John Steven. “Minimalistic Descriptions of Nondynamical Electron Correlation: From Bond-Breaking to Transition-Metal Catalysis.” 2007. Web. 27 Jan 2021.

Vancouver:

Sears JS. Minimalistic Descriptions of Nondynamical Electron Correlation: From Bond-Breaking to Transition-Metal Catalysis. [Internet] [Doctoral dissertation]. Georgia Tech; 2007. [cited 2021 Jan 27]. Available from: http://hdl.handle.net/1853/19807.

Council of Science Editors:

Sears JS. Minimalistic Descriptions of Nondynamical Electron Correlation: From Bond-Breaking to Transition-Metal Catalysis. [Doctoral Dissertation]. Georgia Tech; 2007. Available from: http://hdl.handle.net/1853/19807

6. M. Cipolla. ONE COMMUNICATION AND ONE HEALTH: COMMUNICATION IN VETERINARY MEDICINE TO IMPROVE HUMAN HEALTH.

Degree: 2014, Università degli Studi di Milano

 Health communication has become recently an essential and powerful tool for public health. Its role has been largely recognized in human medicine, but it has… (more)

Subjects/Keywords: Health Communication; Communication; One Health; Public Health; Veterinary Medicine; One World; One Medicine; Breaking Bad News; Patient-provider Communication; Dairy Herd; Farm; Pet; Human-Animal Bond; Health; Human Health; Animal Health; Client-veterinarian Communication; Farmer-veterinarian Communication; Veterinary Practice; Ethics; Bioethics; Settore VET/08 - Clinica Medica Veterinaria; Settore VET/05 - Malattie Infettive degli Animali Domestici; Settore VET/04 - Ispezione degli Alimenti di Origine Animale; Settore MED/42 - Igiene Generale e Applicata

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APA (6th Edition):

Cipolla, M. (2014). ONE COMMUNICATION AND ONE HEALTH: COMMUNICATION IN VETERINARY MEDICINE TO IMPROVE HUMAN HEALTH. (Thesis). Università degli Studi di Milano. Retrieved from http://hdl.handle.net/2434/232569

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Cipolla, M.. “ONE COMMUNICATION AND ONE HEALTH: COMMUNICATION IN VETERINARY MEDICINE TO IMPROVE HUMAN HEALTH.” 2014. Thesis, Università degli Studi di Milano. Accessed January 27, 2021. http://hdl.handle.net/2434/232569.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Cipolla, M.. “ONE COMMUNICATION AND ONE HEALTH: COMMUNICATION IN VETERINARY MEDICINE TO IMPROVE HUMAN HEALTH.” 2014. Web. 27 Jan 2021.

Vancouver:

Cipolla M. ONE COMMUNICATION AND ONE HEALTH: COMMUNICATION IN VETERINARY MEDICINE TO IMPROVE HUMAN HEALTH. [Internet] [Thesis]. Università degli Studi di Milano; 2014. [cited 2021 Jan 27]. Available from: http://hdl.handle.net/2434/232569.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Cipolla M. ONE COMMUNICATION AND ONE HEALTH: COMMUNICATION IN VETERINARY MEDICINE TO IMPROVE HUMAN HEALTH. [Thesis]. Università degli Studi di Milano; 2014. Available from: http://hdl.handle.net/2434/232569

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


North Carolina State University

7. Li, Yanxin. First Principles Modeling of Non-Equilibrium Gas Phase Environments for AlN and Diamond Growth from the Vapor.

Degree: PhD, Materials Science and Engineering, 2004, North Carolina State University

 The purpose of this research has been to understand, at a fundamental level, non-equilibrium gas-phase environments for the vapor deposition of crystals and thin films.… (more)

Subjects/Keywords: gas phase deposition; sublimation growth; supersaturated H atom; molecular excitation; first principles; growth precursor; aluminum nitride; pi-bond formation and breaking; diamond; wide band-gap materials; non-equilibrium; growth mechanism; source temperature; CVD; MOCVD; MBE; concentration profile; temperature profile; concentration distribution; temperature gradient; temperature drops

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

APA (6th Edition):

Li, Y. (2004). First Principles Modeling of Non-Equilibrium Gas Phase Environments for AlN and Diamond Growth from the Vapor. (Doctoral Dissertation). North Carolina State University. Retrieved from http://www.lib.ncsu.edu/resolver/1840.16/4377

Chicago Manual of Style (16th Edition):

Li, Yanxin. “First Principles Modeling of Non-Equilibrium Gas Phase Environments for AlN and Diamond Growth from the Vapor.” 2004. Doctoral Dissertation, North Carolina State University. Accessed January 27, 2021. http://www.lib.ncsu.edu/resolver/1840.16/4377.

MLA Handbook (7th Edition):

Li, Yanxin. “First Principles Modeling of Non-Equilibrium Gas Phase Environments for AlN and Diamond Growth from the Vapor.” 2004. Web. 27 Jan 2021.

Vancouver:

Li Y. First Principles Modeling of Non-Equilibrium Gas Phase Environments for AlN and Diamond Growth from the Vapor. [Internet] [Doctoral dissertation]. North Carolina State University; 2004. [cited 2021 Jan 27]. Available from: http://www.lib.ncsu.edu/resolver/1840.16/4377.

Council of Science Editors:

Li Y. First Principles Modeling of Non-Equilibrium Gas Phase Environments for AlN and Diamond Growth from the Vapor. [Doctoral Dissertation]. North Carolina State University; 2004. Available from: http://www.lib.ncsu.edu/resolver/1840.16/4377

.