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You searched for subject:(nonadiabatic). Showing records 1 – 27 of 27 total matches.

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University of Waterloo

1. Goel, Prateek. First Principles Simulations of Vibrationally Resolved Photodetachment Spectra of Select Biradicals.

Degree: 2012, University of Waterloo

Nonadiabatic dynamical processes are ubiquitous in chemistry and biology. Such events are directly connected to the treatment of energetically close lying states which gives rise… (more)

Subjects/Keywords: Biradicals; Photodetachment Spectra; Simulations; Nonadiabatic Dynamics

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

APA (6th Edition):

Goel, P. (2012). First Principles Simulations of Vibrationally Resolved Photodetachment Spectra of Select Biradicals. (Thesis). University of Waterloo. Retrieved from http://hdl.handle.net/10012/6985

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):

Goel, Prateek. “First Principles Simulations of Vibrationally Resolved Photodetachment Spectra of Select Biradicals.” 2012. Thesis, University of Waterloo. Accessed October 20, 2019. http://hdl.handle.net/10012/6985.

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

MLA Handbook (7th Edition):

Goel, Prateek. “First Principles Simulations of Vibrationally Resolved Photodetachment Spectra of Select Biradicals.” 2012. Web. 20 Oct 2019.

Vancouver:

Goel P. First Principles Simulations of Vibrationally Resolved Photodetachment Spectra of Select Biradicals. [Internet] [Thesis]. University of Waterloo; 2012. [cited 2019 Oct 20]. Available from: http://hdl.handle.net/10012/6985.

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

Council of Science Editors:

Goel P. First Principles Simulations of Vibrationally Resolved Photodetachment Spectra of Select Biradicals. [Thesis]. University of Waterloo; 2012. Available from: http://hdl.handle.net/10012/6985

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


University of Texas – Austin

2. Anderson, Kevin David. Nonradiative decay of singlet excitons in cadmium selenide nanoparticles.

Degree: MA, Chemistry, 2014, University of Texas – Austin

 Nonradiative decay of excitons is a competing process to Multi-Exciton Generation (MEG) in nanoparticles. Nonradiative decay of single excitons with sufficient energy to generate bi-excitons… (more)

Subjects/Keywords: Nonradiative relaxation; Cadmium Selenide; Nonadiabatic dynamics

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APA (6th Edition):

Anderson, K. D. (2014). Nonradiative decay of singlet excitons in cadmium selenide nanoparticles. (Masters Thesis). University of Texas – Austin. Retrieved from http://hdl.handle.net/2152/26118

Chicago Manual of Style (16th Edition):

Anderson, Kevin David. “Nonradiative decay of singlet excitons in cadmium selenide nanoparticles.” 2014. Masters Thesis, University of Texas – Austin. Accessed October 20, 2019. http://hdl.handle.net/2152/26118.

MLA Handbook (7th Edition):

Anderson, Kevin David. “Nonradiative decay of singlet excitons in cadmium selenide nanoparticles.” 2014. Web. 20 Oct 2019.

Vancouver:

Anderson KD. Nonradiative decay of singlet excitons in cadmium selenide nanoparticles. [Internet] [Masters thesis]. University of Texas – Austin; 2014. [cited 2019 Oct 20]. Available from: http://hdl.handle.net/2152/26118.

Council of Science Editors:

Anderson KD. Nonradiative decay of singlet excitons in cadmium selenide nanoparticles. [Masters Thesis]. University of Texas – Austin; 2014. Available from: http://hdl.handle.net/2152/26118

3. Miraglia Franco de Carvalho, Felipe. Nonadiabatic Dynamics with Spin-orbit couplings.

Degree: 2017, EPFL

 This thesis deals with the excited-states dynamics of molecules beyond the Bon-Oppenheimer approximation (nonadiabatic dynamics). The nuclei were always treated with classical mechanics while the… (more)

Subjects/Keywords: TDDFT; nonadiabatic dynamics; intersystem crossing; spin-orbit coupling

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APA (6th Edition):

Miraglia Franco de Carvalho, F. (2017). Nonadiabatic Dynamics with Spin-orbit couplings. (Thesis). EPFL. Retrieved from http://infoscience.epfl.ch/record/225959

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):

Miraglia Franco de Carvalho, Felipe. “Nonadiabatic Dynamics with Spin-orbit couplings.” 2017. Thesis, EPFL. Accessed October 20, 2019. http://infoscience.epfl.ch/record/225959.

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

MLA Handbook (7th Edition):

Miraglia Franco de Carvalho, Felipe. “Nonadiabatic Dynamics with Spin-orbit couplings.” 2017. Web. 20 Oct 2019.

Vancouver:

Miraglia Franco de Carvalho F. Nonadiabatic Dynamics with Spin-orbit couplings. [Internet] [Thesis]. EPFL; 2017. [cited 2019 Oct 20]. Available from: http://infoscience.epfl.ch/record/225959.

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

Council of Science Editors:

Miraglia Franco de Carvalho F. Nonadiabatic Dynamics with Spin-orbit couplings. [Thesis]. EPFL; 2017. Available from: http://infoscience.epfl.ch/record/225959

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


The Ohio State University

4. Zhang, Xing. Spin-flip time-dependent density functional theory and its applications to photodynamics.

Degree: PhD, Chemistry, 2016, The Ohio State University

 In order to correctly simulate photodynamics, it is required to use first-principle methods since multiple electronic states have to be considered at the same time.… (more)

Subjects/Keywords: Physical Chemistry; spin-flip TDDFT, conical intersections, nonadiabatic AIMD

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APA (6th Edition):

Zhang, X. (2016). Spin-flip time-dependent density functional theory and its applications to photodynamics. (Doctoral Dissertation). The Ohio State University. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=osu1469628877

Chicago Manual of Style (16th Edition):

Zhang, Xing. “Spin-flip time-dependent density functional theory and its applications to photodynamics.” 2016. Doctoral Dissertation, The Ohio State University. Accessed October 20, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=osu1469628877.

MLA Handbook (7th Edition):

Zhang, Xing. “Spin-flip time-dependent density functional theory and its applications to photodynamics.” 2016. Web. 20 Oct 2019.

Vancouver:

Zhang X. Spin-flip time-dependent density functional theory and its applications to photodynamics. [Internet] [Doctoral dissertation]. The Ohio State University; 2016. [cited 2019 Oct 20]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=osu1469628877.

Council of Science Editors:

Zhang X. Spin-flip time-dependent density functional theory and its applications to photodynamics. [Doctoral Dissertation]. The Ohio State University; 2016. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=osu1469628877


University of Minnesota

5. Yang, Ke R. Quantum Mechanical Potential Energy Surfaces and State Couplings for Photodissociation and Collision-Induced Dissociation Reactions: New Methods and Applications.

Degree: PhD, Chemistry, 2014, University of Minnesota

 Potential energy surfaces (PESs) play essential roles in the study of chemical dynamics. The adiabatic ground-state PES of N4 was constructed with permutationally invariant polynomials… (more)

Subjects/Keywords: Bond dissociation; Diabatic states; Nonadiabatic dynamics; Potential energy surface

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APA (6th Edition):

Yang, K. R. (2014). Quantum Mechanical Potential Energy Surfaces and State Couplings for Photodissociation and Collision-Induced Dissociation Reactions: New Methods and Applications. (Doctoral Dissertation). University of Minnesota. Retrieved from http://hdl.handle.net/11299/165847

Chicago Manual of Style (16th Edition):

Yang, Ke R. “Quantum Mechanical Potential Energy Surfaces and State Couplings for Photodissociation and Collision-Induced Dissociation Reactions: New Methods and Applications.” 2014. Doctoral Dissertation, University of Minnesota. Accessed October 20, 2019. http://hdl.handle.net/11299/165847.

MLA Handbook (7th Edition):

Yang, Ke R. “Quantum Mechanical Potential Energy Surfaces and State Couplings for Photodissociation and Collision-Induced Dissociation Reactions: New Methods and Applications.” 2014. Web. 20 Oct 2019.

Vancouver:

Yang KR. Quantum Mechanical Potential Energy Surfaces and State Couplings for Photodissociation and Collision-Induced Dissociation Reactions: New Methods and Applications. [Internet] [Doctoral dissertation]. University of Minnesota; 2014. [cited 2019 Oct 20]. Available from: http://hdl.handle.net/11299/165847.

Council of Science Editors:

Yang KR. Quantum Mechanical Potential Energy Surfaces and State Couplings for Photodissociation and Collision-Induced Dissociation Reactions: New Methods and Applications. [Doctoral Dissertation]. University of Minnesota; 2014. Available from: http://hdl.handle.net/11299/165847


University of Pennsylvania

6. Ou, Qi. Tddft Derivative Couplings And Other Topics In Quantum Chemistry.

Degree: 2017, University of Pennsylvania

 Photochemical reactions, which involve both the ground and excited electronic states of a molecule, can promote processes otherwise inaccessible by normal reactions. In general, photochemical… (more)

Subjects/Keywords: conical intersection; derivative coupling; electronic structure theory; nonadiabatic; tddft; Chemistry

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APA (6th Edition):

Ou, Q. (2017). Tddft Derivative Couplings And Other Topics In Quantum Chemistry. (Thesis). University of Pennsylvania. Retrieved from https://repository.upenn.edu/edissertations/2509

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):

Ou, Qi. “Tddft Derivative Couplings And Other Topics In Quantum Chemistry.” 2017. Thesis, University of Pennsylvania. Accessed October 20, 2019. https://repository.upenn.edu/edissertations/2509.

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

MLA Handbook (7th Edition):

Ou, Qi. “Tddft Derivative Couplings And Other Topics In Quantum Chemistry.” 2017. Web. 20 Oct 2019.

Vancouver:

Ou Q. Tddft Derivative Couplings And Other Topics In Quantum Chemistry. [Internet] [Thesis]. University of Pennsylvania; 2017. [cited 2019 Oct 20]. Available from: https://repository.upenn.edu/edissertations/2509.

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

Council of Science Editors:

Ou Q. Tddft Derivative Couplings And Other Topics In Quantum Chemistry. [Thesis]. University of Pennsylvania; 2017. Available from: https://repository.upenn.edu/edissertations/2509

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


University of Rochester

7. Neukirch, Amanda Joy (1985 - ). Excited state dynamics in nanoscale systems.

Degree: PhD, 2014, University of Rochester

 The over-arching theme of the work featured in this thesis is to use state-of-the-art computational techniques to gain an understanding of novel nanoscale systems that… (more)

Subjects/Keywords: Azobenzene; Molecular switches; Nonadiabatic molecular dynamics; Plasmons; Semiconductor quantum dots

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APA (6th Edition):

Neukirch, A. J. (. -. ). (2014). Excited state dynamics in nanoscale systems. (Doctoral Dissertation). University of Rochester. Retrieved from http://hdl.handle.net/1802/28890

Chicago Manual of Style (16th Edition):

Neukirch, Amanda Joy (1985 - ). “Excited state dynamics in nanoscale systems.” 2014. Doctoral Dissertation, University of Rochester. Accessed October 20, 2019. http://hdl.handle.net/1802/28890.

MLA Handbook (7th Edition):

Neukirch, Amanda Joy (1985 - ). “Excited state dynamics in nanoscale systems.” 2014. Web. 20 Oct 2019.

Vancouver:

Neukirch AJ(-). Excited state dynamics in nanoscale systems. [Internet] [Doctoral dissertation]. University of Rochester; 2014. [cited 2019 Oct 20]. Available from: http://hdl.handle.net/1802/28890.

Council of Science Editors:

Neukirch AJ(-). Excited state dynamics in nanoscale systems. [Doctoral Dissertation]. University of Rochester; 2014. Available from: http://hdl.handle.net/1802/28890


University of Rochester

8. Trivedi, Dhara J. (1985 - ). Dynamics of photoexcited state of semiconductor quantum dots.

Degree: PhD, 2015, University of Rochester

 In this thesis, non-adiabatic molecular dynamics (NAMD) of excited states in semiconductor quantum dots are investigated. Nanoscale systems provide important opportunities for theory and computation… (more)

Subjects/Keywords: Auger Process; Nonadiabatic Dynamics; Quantum Dots; Surface Hopping

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APA (6th Edition):

Trivedi, D. J. (. -. ). (2015). Dynamics of photoexcited state of semiconductor quantum dots. (Doctoral Dissertation). University of Rochester. Retrieved from http://hdl.handle.net/1802/30284

Chicago Manual of Style (16th Edition):

Trivedi, Dhara J (1985 - ). “Dynamics of photoexcited state of semiconductor quantum dots.” 2015. Doctoral Dissertation, University of Rochester. Accessed October 20, 2019. http://hdl.handle.net/1802/30284.

MLA Handbook (7th Edition):

Trivedi, Dhara J (1985 - ). “Dynamics of photoexcited state of semiconductor quantum dots.” 2015. Web. 20 Oct 2019.

Vancouver:

Trivedi DJ(-). Dynamics of photoexcited state of semiconductor quantum dots. [Internet] [Doctoral dissertation]. University of Rochester; 2015. [cited 2019 Oct 20]. Available from: http://hdl.handle.net/1802/30284.

Council of Science Editors:

Trivedi DJ(-). Dynamics of photoexcited state of semiconductor quantum dots. [Doctoral Dissertation]. University of Rochester; 2015. Available from: http://hdl.handle.net/1802/30284


University of Notre Dame

9. Mary Caitlin Sherman. Nonadiabatic Dynamics and Path Sampling Methods: A New Perspective on the Simulation of Charge Transfer Reactions in the Condensed Phase</h1>.

Degree: PhD, Chemistry and Biochemistry, 2015, University of Notre Dame

  Condensed phase charge transfer mechanisms control prominent reactions in all branches of chemistry, physics, and biology. The prevalence of such reactions provides great motivation… (more)

Subjects/Keywords: surface hopping; charge transfer; nonadiabatic dynamics; transition path sampling

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APA (6th Edition):

Sherman, M. C. (2015). Nonadiabatic Dynamics and Path Sampling Methods: A New Perspective on the Simulation of Charge Transfer Reactions in the Condensed Phase</h1>. (Doctoral Dissertation). University of Notre Dame. Retrieved from https://curate.nd.edu/show/0c483j34w7d

Chicago Manual of Style (16th Edition):

Sherman, Mary Caitlin. “Nonadiabatic Dynamics and Path Sampling Methods: A New Perspective on the Simulation of Charge Transfer Reactions in the Condensed Phase</h1>.” 2015. Doctoral Dissertation, University of Notre Dame. Accessed October 20, 2019. https://curate.nd.edu/show/0c483j34w7d.

MLA Handbook (7th Edition):

Sherman, Mary Caitlin. “Nonadiabatic Dynamics and Path Sampling Methods: A New Perspective on the Simulation of Charge Transfer Reactions in the Condensed Phase</h1>.” 2015. Web. 20 Oct 2019.

Vancouver:

Sherman MC. Nonadiabatic Dynamics and Path Sampling Methods: A New Perspective on the Simulation of Charge Transfer Reactions in the Condensed Phase</h1>. [Internet] [Doctoral dissertation]. University of Notre Dame; 2015. [cited 2019 Oct 20]. Available from: https://curate.nd.edu/show/0c483j34w7d.

Council of Science Editors:

Sherman MC. Nonadiabatic Dynamics and Path Sampling Methods: A New Perspective on the Simulation of Charge Transfer Reactions in the Condensed Phase</h1>. [Doctoral Dissertation]. University of Notre Dame; 2015. Available from: https://curate.nd.edu/show/0c483j34w7d


Temple University

10. Kistler, Kurt Andrew. Using Quantum Mechanics to Investigate the Photophysical Properties of the DNA and RNA Bases and their Fluorescent Analogs.

Degree: PhD, 2010, Temple University

Chemistry

The ability of the nucleic acids to absorb ultraviolet light and remain relatively photostable is a property upon which life depends. The nucleobases, which… (more)

Subjects/Keywords: Chemistry, Physical; Quantum physics; Biophysics, General; cytosine; DNA base; fluorescence; nonadiabatic transitions; photophysics; radiationless decay

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APA (6th Edition):

Kistler, K. A. (2010). Using Quantum Mechanics to Investigate the Photophysical Properties of the DNA and RNA Bases and their Fluorescent Analogs. (Doctoral Dissertation). Temple University. Retrieved from http://digital.library.temple.edu/u?/p245801coll10,73855

Chicago Manual of Style (16th Edition):

Kistler, Kurt Andrew. “Using Quantum Mechanics to Investigate the Photophysical Properties of the DNA and RNA Bases and their Fluorescent Analogs.” 2010. Doctoral Dissertation, Temple University. Accessed October 20, 2019. http://digital.library.temple.edu/u?/p245801coll10,73855.

MLA Handbook (7th Edition):

Kistler, Kurt Andrew. “Using Quantum Mechanics to Investigate the Photophysical Properties of the DNA and RNA Bases and their Fluorescent Analogs.” 2010. Web. 20 Oct 2019.

Vancouver:

Kistler KA. Using Quantum Mechanics to Investigate the Photophysical Properties of the DNA and RNA Bases and their Fluorescent Analogs. [Internet] [Doctoral dissertation]. Temple University; 2010. [cited 2019 Oct 20]. Available from: http://digital.library.temple.edu/u?/p245801coll10,73855.

Council of Science Editors:

Kistler KA. Using Quantum Mechanics to Investigate the Photophysical Properties of the DNA and RNA Bases and their Fluorescent Analogs. [Doctoral Dissertation]. Temple University; 2010. Available from: http://digital.library.temple.edu/u?/p245801coll10,73855


Kansas State University

11. Senanayake, Ravithree Dhaneeka. Electron-nuclear dynamics in noble metal nanoparticles.

Degree: PhD, Department of Chemistry, 2018, Kansas State University

 Thiolate-protected noble metal nanoparticles (~2 nm size) are efficient solar photon harvesters, as they favorably absorb within the visible region. Clear mechanistic insights regarding the… (more)

Subjects/Keywords: Gold and silver nanoparticles; Excited state dynamics; Nonadiabatic; Nonradiative dynamics; Time-dependent Kohn Sham description

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APA (6th Edition):

Senanayake, R. D. (2018). Electron-nuclear dynamics in noble metal nanoparticles. (Doctoral Dissertation). Kansas State University. Retrieved from http://hdl.handle.net/2097/38809

Chicago Manual of Style (16th Edition):

Senanayake, Ravithree Dhaneeka. “Electron-nuclear dynamics in noble metal nanoparticles.” 2018. Doctoral Dissertation, Kansas State University. Accessed October 20, 2019. http://hdl.handle.net/2097/38809.

MLA Handbook (7th Edition):

Senanayake, Ravithree Dhaneeka. “Electron-nuclear dynamics in noble metal nanoparticles.” 2018. Web. 20 Oct 2019.

Vancouver:

Senanayake RD. Electron-nuclear dynamics in noble metal nanoparticles. [Internet] [Doctoral dissertation]. Kansas State University; 2018. [cited 2019 Oct 20]. Available from: http://hdl.handle.net/2097/38809.

Council of Science Editors:

Senanayake RD. Electron-nuclear dynamics in noble metal nanoparticles. [Doctoral Dissertation]. Kansas State University; 2018. Available from: http://hdl.handle.net/2097/38809


University of Rochester

12. Nilosek, Elena. Quantum and classical molecular dynamics of energy harvesting.

Degree: PhD, 2015, University of Rochester

 The cornucopia of computational chemical techniques available nowadays facilitates meticulous analysis of a wide range of properties of multi-body systems of various sizes and states.… (more)

Subjects/Keywords: Computational chemistry; Density functional theory; Energy harvesting; Molecular dynamics; Nonadiabatic MD; Quantum dynamics

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APA (6th Edition):

Nilosek, E. (2015). Quantum and classical molecular dynamics of energy harvesting. (Doctoral Dissertation). University of Rochester. Retrieved from http://hdl.handle.net/1802/29616

Chicago Manual of Style (16th Edition):

Nilosek, Elena. “Quantum and classical molecular dynamics of energy harvesting.” 2015. Doctoral Dissertation, University of Rochester. Accessed October 20, 2019. http://hdl.handle.net/1802/29616.

MLA Handbook (7th Edition):

Nilosek, Elena. “Quantum and classical molecular dynamics of energy harvesting.” 2015. Web. 20 Oct 2019.

Vancouver:

Nilosek E. Quantum and classical molecular dynamics of energy harvesting. [Internet] [Doctoral dissertation]. University of Rochester; 2015. [cited 2019 Oct 20]. Available from: http://hdl.handle.net/1802/29616.

Council of Science Editors:

Nilosek E. Quantum and classical molecular dynamics of energy harvesting. [Doctoral Dissertation]. University of Rochester; 2015. Available from: http://hdl.handle.net/1802/29616

13. Jain,Kamlesh Kumar. Studies on interaction of a rotating relativistic electron beam with plasma;.

Degree: Physics, 2015, Gujarat University

Abstract Available

Data not available

Advisors/Committee Members: John,P I.

Subjects/Keywords: Co-Axial; Dielectric; Electron; Magnetosonic; Nonadiabatic; Plasma; Propagation; Vacuum

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APA (6th Edition):

Kumar, J. (2015). Studies on interaction of a rotating relativistic electron beam with plasma;. (Thesis). Gujarat University. Retrieved from http://shodhganga.inflibnet.ac.in/handle/10603/47430

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):

Kumar, Jain,Kamlesh. “Studies on interaction of a rotating relativistic electron beam with plasma;.” 2015. Thesis, Gujarat University. Accessed October 20, 2019. http://shodhganga.inflibnet.ac.in/handle/10603/47430.

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

MLA Handbook (7th Edition):

Kumar, Jain,Kamlesh. “Studies on interaction of a rotating relativistic electron beam with plasma;.” 2015. Web. 20 Oct 2019.

Vancouver:

Kumar J. Studies on interaction of a rotating relativistic electron beam with plasma;. [Internet] [Thesis]. Gujarat University; 2015. [cited 2019 Oct 20]. Available from: http://shodhganga.inflibnet.ac.in/handle/10603/47430.

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

Council of Science Editors:

Kumar J. Studies on interaction of a rotating relativistic electron beam with plasma;. [Thesis]. Gujarat University; 2015. Available from: http://shodhganga.inflibnet.ac.in/handle/10603/47430

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


Penn State University

14. Skone, Jonathan H. QUANTUM MECHANICAL METHODS FOR CALCULATING.

Degree: PhD, Chemistry, 2008, Penn State University

 Nuclear quantum effects such as proton tunneling and vibrational excitations play an important role in a wide range of chemical and biological processes, including the… (more)

Subjects/Keywords: electronically nonadiabatic; nonorthogonal configuration interaction; tunneling splitting; proton-coupled electron transfer; vibronic coupling; kinetic isotope effect; semiclassical method; proton transfer

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APA (6th Edition):

Skone, J. H. (2008). QUANTUM MECHANICAL METHODS FOR CALCULATING. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/8157

Chicago Manual of Style (16th Edition):

Skone, Jonathan H. “QUANTUM MECHANICAL METHODS FOR CALCULATING.” 2008. Doctoral Dissertation, Penn State University. Accessed October 20, 2019. https://etda.libraries.psu.edu/catalog/8157.

MLA Handbook (7th Edition):

Skone, Jonathan H. “QUANTUM MECHANICAL METHODS FOR CALCULATING.” 2008. Web. 20 Oct 2019.

Vancouver:

Skone JH. QUANTUM MECHANICAL METHODS FOR CALCULATING. [Internet] [Doctoral dissertation]. Penn State University; 2008. [cited 2019 Oct 20]. Available from: https://etda.libraries.psu.edu/catalog/8157.

Council of Science Editors:

Skone JH. QUANTUM MECHANICAL METHODS FOR CALCULATING. [Doctoral Dissertation]. Penn State University; 2008. Available from: https://etda.libraries.psu.edu/catalog/8157


The Ohio State University

15. Opoku-Agyeman, Bernice. Complexities in Nonadiabatic Dynamics of Small Molecular Anions.

Degree: PhD, Chemistry, 2018, The Ohio State University

 The studies in this thesis utilize theoretical approaches to investigate the dynamics involved in the photodissociation of small anionic systems in which nonadiabatic interactions result… (more)

Subjects/Keywords: Chemistry; Physical Chemistry; Potential energy surfaces; Excitation energies; Wave functions; Ground states; Excited states; Photodissociation; Surface Hopping; Semi-classical; energy distribution; argon solvation; charge transfer; nonadiabatic

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APA (6th Edition):

Opoku-Agyeman, B. (2018). Complexities in Nonadiabatic Dynamics of Small Molecular Anions. (Doctoral Dissertation). The Ohio State University. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=osu1503094708588515

Chicago Manual of Style (16th Edition):

Opoku-Agyeman, Bernice. “Complexities in Nonadiabatic Dynamics of Small Molecular Anions.” 2018. Doctoral Dissertation, The Ohio State University. Accessed October 20, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=osu1503094708588515.

MLA Handbook (7th Edition):

Opoku-Agyeman, Bernice. “Complexities in Nonadiabatic Dynamics of Small Molecular Anions.” 2018. Web. 20 Oct 2019.

Vancouver:

Opoku-Agyeman B. Complexities in Nonadiabatic Dynamics of Small Molecular Anions. [Internet] [Doctoral dissertation]. The Ohio State University; 2018. [cited 2019 Oct 20]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=osu1503094708588515.

Council of Science Editors:

Opoku-Agyeman B. Complexities in Nonadiabatic Dynamics of Small Molecular Anions. [Doctoral Dissertation]. The Ohio State University; 2018. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=osu1503094708588515

16. Rozsályi, Emese Tünde. Theoretical study of charge transfer in ion-molecule collisions : Etude théorique du transfert de charge dans les collisions ion-molécule.

Degree: Docteur es, Chimie théorique, 2012, Université Claude Bernard – Lyon I

Les processus de transfert de charge sont très importants dans de nombreux domaines de la physique et de la chimie. Ils interviennent en particulier dans… (more)

Subjects/Keywords: Collision ion-molécule; Transfert de charge; Surface énergie potentielle; Couplage non adiabatique; Interaction non adiabatique; Ion-molecule collision; Charge transfer; Surface potential energy; Non-adiabatic coupling; Nonadiabatic interaction; 541.372 3

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APA (6th Edition):

Rozsályi, E. T. (2012). Theoretical study of charge transfer in ion-molecule collisions : Etude théorique du transfert de charge dans les collisions ion-molécule. (Doctoral Dissertation). Université Claude Bernard – Lyon I. Retrieved from http://www.theses.fr/2012LYO10152

Chicago Manual of Style (16th Edition):

Rozsályi, Emese Tünde. “Theoretical study of charge transfer in ion-molecule collisions : Etude théorique du transfert de charge dans les collisions ion-molécule.” 2012. Doctoral Dissertation, Université Claude Bernard – Lyon I. Accessed October 20, 2019. http://www.theses.fr/2012LYO10152.

MLA Handbook (7th Edition):

Rozsályi, Emese Tünde. “Theoretical study of charge transfer in ion-molecule collisions : Etude théorique du transfert de charge dans les collisions ion-molécule.” 2012. Web. 20 Oct 2019.

Vancouver:

Rozsályi ET. Theoretical study of charge transfer in ion-molecule collisions : Etude théorique du transfert de charge dans les collisions ion-molécule. [Internet] [Doctoral dissertation]. Université Claude Bernard – Lyon I; 2012. [cited 2019 Oct 20]. Available from: http://www.theses.fr/2012LYO10152.

Council of Science Editors:

Rozsályi ET. Theoretical study of charge transfer in ion-molecule collisions : Etude théorique du transfert de charge dans les collisions ion-molécule. [Doctoral Dissertation]. Université Claude Bernard – Lyon I; 2012. Available from: http://www.theses.fr/2012LYO10152


Université Montpellier II

17. Joubert Doriol, Loïc. Contrôle de la photochimie du benzopyrane : élaboration d’une stratégie théorique couplant chimie quantique et dynamique quantique : Control of the benzopyran photochemestry : theoretical strategy coupling quantum Chemistry and quantum dynamics.

Degree: Docteur es, Chimie et Physicochimie des matériaux, 2012, Université Montpellier II

Cette thèse concerne l'ouverture de cycle des spiropyranes (SP) et leur utilisation comme interrupteurs contrôlés par impulsions laser. Nous avons élaboré un modèle théorique pour… (more)

Subjects/Keywords: Chimie quantique; Dynamique quantique; Photochimie; Processus non adiabatiques; Modèle d'Hamiltonien avec couplages vibroniques; Spiropyranes; Quantum chemistry; Quantum dynamic; Photochemistry; Nonadiabatic processes; Vibronic coupling Hamiltonian model; Spiropyrans

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APA (6th Edition):

Joubert Doriol, L. (2012). Contrôle de la photochimie du benzopyrane : élaboration d’une stratégie théorique couplant chimie quantique et dynamique quantique : Control of the benzopyran photochemestry : theoretical strategy coupling quantum Chemistry and quantum dynamics. (Doctoral Dissertation). Université Montpellier II. Retrieved from http://www.theses.fr/2012MON20169

Chicago Manual of Style (16th Edition):

Joubert Doriol, Loïc. “Contrôle de la photochimie du benzopyrane : élaboration d’une stratégie théorique couplant chimie quantique et dynamique quantique : Control of the benzopyran photochemestry : theoretical strategy coupling quantum Chemistry and quantum dynamics.” 2012. Doctoral Dissertation, Université Montpellier II. Accessed October 20, 2019. http://www.theses.fr/2012MON20169.

MLA Handbook (7th Edition):

Joubert Doriol, Loïc. “Contrôle de la photochimie du benzopyrane : élaboration d’une stratégie théorique couplant chimie quantique et dynamique quantique : Control of the benzopyran photochemestry : theoretical strategy coupling quantum Chemistry and quantum dynamics.” 2012. Web. 20 Oct 2019.

Vancouver:

Joubert Doriol L. Contrôle de la photochimie du benzopyrane : élaboration d’une stratégie théorique couplant chimie quantique et dynamique quantique : Control of the benzopyran photochemestry : theoretical strategy coupling quantum Chemistry and quantum dynamics. [Internet] [Doctoral dissertation]. Université Montpellier II; 2012. [cited 2019 Oct 20]. Available from: http://www.theses.fr/2012MON20169.

Council of Science Editors:

Joubert Doriol L. Contrôle de la photochimie du benzopyrane : élaboration d’une stratégie théorique couplant chimie quantique et dynamique quantique : Control of the benzopyran photochemestry : theoretical strategy coupling quantum Chemistry and quantum dynamics. [Doctoral Dissertation]. Université Montpellier II; 2012. Available from: http://www.theses.fr/2012MON20169

18. Smirnova, Olga. Sub-laser-cycle control of coupled electron-nuclear dynamics at a conical intersection.

Degree: 2018, Institute of Physics Publishing

Subjects/Keywords: Sub-femtosecond laser control; Molecular dynamics; Conical intersection; Nonadiabatic effects; Química

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APA (6th Edition):

Smirnova, O. (2018). Sub-laser-cycle control of coupled electron-nuclear dynamics at a conical intersection. (Thesis). Institute of Physics Publishing. Retrieved from http://hdl.handle.net/10486/676274

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):

Smirnova, Olga. “Sub-laser-cycle control of coupled electron-nuclear dynamics at a conical intersection.” 2018. Thesis, Institute of Physics Publishing. Accessed October 20, 2019. http://hdl.handle.net/10486/676274.

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

MLA Handbook (7th Edition):

Smirnova, Olga. “Sub-laser-cycle control of coupled electron-nuclear dynamics at a conical intersection.” 2018. Web. 20 Oct 2019.

Vancouver:

Smirnova O. Sub-laser-cycle control of coupled electron-nuclear dynamics at a conical intersection. [Internet] [Thesis]. Institute of Physics Publishing; 2018. [cited 2019 Oct 20]. Available from: http://hdl.handle.net/10486/676274.

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

Council of Science Editors:

Smirnova O. Sub-laser-cycle control of coupled electron-nuclear dynamics at a conical intersection. [Thesis]. Institute of Physics Publishing; 2018. Available from: http://hdl.handle.net/10486/676274

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


University of Illinois – Urbana-Champaign

19. Sirjoosingh, Andrew. Electron-proton nonadiabaticity: characterization and development of non-Born-Oppenheimer electronic structure methods.

Degree: PhD, 0335, 2014, University of Illinois – Urbana-Champaign

 Nuclear quantum effects such as zero-point energy and hydrogen tunneling play an important role in a wide variety of chemical reactions. Moreover, non-Born-Oppenheimer effects are… (more)

Subjects/Keywords: proton-coupled electron transfer; quantum chemistry; non-Born-Oppenheimer; nonadiabatic; density functional theory; explicitly correlated wavefunctions; hydrogen atom transfer; diabatization; nuclear quantum effects

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APA (6th Edition):

Sirjoosingh, A. (2014). Electron-proton nonadiabaticity: characterization and development of non-Born-Oppenheimer electronic structure methods. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/50682

Chicago Manual of Style (16th Edition):

Sirjoosingh, Andrew. “Electron-proton nonadiabaticity: characterization and development of non-Born-Oppenheimer electronic structure methods.” 2014. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed October 20, 2019. http://hdl.handle.net/2142/50682.

MLA Handbook (7th Edition):

Sirjoosingh, Andrew. “Electron-proton nonadiabaticity: characterization and development of non-Born-Oppenheimer electronic structure methods.” 2014. Web. 20 Oct 2019.

Vancouver:

Sirjoosingh A. Electron-proton nonadiabaticity: characterization and development of non-Born-Oppenheimer electronic structure methods. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2014. [cited 2019 Oct 20]. Available from: http://hdl.handle.net/2142/50682.

Council of Science Editors:

Sirjoosingh A. Electron-proton nonadiabaticity: characterization and development of non-Born-Oppenheimer electronic structure methods. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2014. Available from: http://hdl.handle.net/2142/50682

20. Alguire, Ethan. Electronic Structure Methods for the Investigation of Nonadiabatic Dynamics.

Degree: 2015, University of Pennsylvania

 A detailed understanding of the interface between nuclear dynamics and electronic structure is crucial for describing excited state dynamics in photoexcited systems, a key aspect… (more)

Subjects/Keywords: Diabatic states; Electronic structure; Excited states; Nonadiabatic dynamics; Physical Chemistry

…the nonadiabatic or dynamic coupling) vector can become quite large under certain… …nonadiabatic dynamics, coupling between electronic states is induced by the dot product 6 of the… 

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APA (6th Edition):

Alguire, E. (2015). Electronic Structure Methods for the Investigation of Nonadiabatic Dynamics. (Thesis). University of Pennsylvania. Retrieved from https://repository.upenn.edu/edissertations/1585

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):

Alguire, Ethan. “Electronic Structure Methods for the Investigation of Nonadiabatic Dynamics.” 2015. Thesis, University of Pennsylvania. Accessed October 20, 2019. https://repository.upenn.edu/edissertations/1585.

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

MLA Handbook (7th Edition):

Alguire, Ethan. “Electronic Structure Methods for the Investigation of Nonadiabatic Dynamics.” 2015. Web. 20 Oct 2019.

Vancouver:

Alguire E. Electronic Structure Methods for the Investigation of Nonadiabatic Dynamics. [Internet] [Thesis]. University of Pennsylvania; 2015. [cited 2019 Oct 20]. Available from: https://repository.upenn.edu/edissertations/1585.

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

Council of Science Editors:

Alguire E. Electronic Structure Methods for the Investigation of Nonadiabatic Dynamics. [Thesis]. University of Pennsylvania; 2015. Available from: https://repository.upenn.edu/edissertations/1585

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


Freie Universität Berlin

21. Lisinetskaya, Polina. Gekoppelte Kern-Elektronen-Dynamik und Lichtpropagation in Metalcluster- Nanostrukturen.

Degree: 2016, Freie Universität Berlin

 In der vorliegenden Dissertation werden ultraschnelle Relaxationsprozesse in kleinen Edelmetallclustern unter Verwendung der zeitabhängigen Dichtefunktionaltheorie und der feldinduzierten Surface-Hopping-Methode theoretisch untersucht. Das Wechselspiel zwischen Relaxation… (more)

Subjects/Keywords: Nonadiabatic dynamics; exciton transfer; electric field distribution; metal clusters; cluster arrays; 500 Naturwissenschaften und Mathematik::530 Physik::530 Physik; 500 Naturwissenschaften und Mathematik::540 Chemie::541 Physikalische Chemie

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APA (6th Edition):

Lisinetskaya, P. (2016). Gekoppelte Kern-Elektronen-Dynamik und Lichtpropagation in Metalcluster- Nanostrukturen. (Thesis). Freie Universität Berlin. Retrieved from http://dx.doi.org/10.17169/refubium-4496

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):

Lisinetskaya, Polina. “Gekoppelte Kern-Elektronen-Dynamik und Lichtpropagation in Metalcluster- Nanostrukturen.” 2016. Thesis, Freie Universität Berlin. Accessed October 20, 2019. http://dx.doi.org/10.17169/refubium-4496.

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

MLA Handbook (7th Edition):

Lisinetskaya, Polina. “Gekoppelte Kern-Elektronen-Dynamik und Lichtpropagation in Metalcluster- Nanostrukturen.” 2016. Web. 20 Oct 2019.

Vancouver:

Lisinetskaya P. Gekoppelte Kern-Elektronen-Dynamik und Lichtpropagation in Metalcluster- Nanostrukturen. [Internet] [Thesis]. Freie Universität Berlin; 2016. [cited 2019 Oct 20]. Available from: http://dx.doi.org/10.17169/refubium-4496.

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

Council of Science Editors:

Lisinetskaya P. Gekoppelte Kern-Elektronen-Dynamik und Lichtpropagation in Metalcluster- Nanostrukturen. [Thesis]. Freie Universität Berlin; 2016. Available from: http://dx.doi.org/10.17169/refubium-4496

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

22. Monti, Adriano. Taking control of charge transfer: strategic design for solar cells.

Degree: 2015, Leiden Institute of Chemistry (LIC), Faculty of Science, Leiden University

 The thesis is focused on the investigation of the electron transfer mechanisms leading to solar fuel production and to the identification of engineering principles that… (more)

Subjects/Keywords: Quantum coherence; Proton-coupled electron transfer; Water-oxidation catalysis; Catalysis; Solar-cell; Nonadiabatic dynamics; Quantum coherence; Proton-coupled electron transfer; Water-oxidation catalysis; Catalysis; Solar-cell; Nonadiabatic dynamics

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APA (6th Edition):

Monti, A. (2015). Taking control of charge transfer: strategic design for solar cells. (Doctoral Dissertation). Leiden Institute of Chemistry (LIC), Faculty of Science, Leiden University. Retrieved from http://hdl.handle.net/1887/37115

Chicago Manual of Style (16th Edition):

Monti, Adriano. “Taking control of charge transfer: strategic design for solar cells.” 2015. Doctoral Dissertation, Leiden Institute of Chemistry (LIC), Faculty of Science, Leiden University. Accessed October 20, 2019. http://hdl.handle.net/1887/37115.

MLA Handbook (7th Edition):

Monti, Adriano. “Taking control of charge transfer: strategic design for solar cells.” 2015. Web. 20 Oct 2019.

Vancouver:

Monti A. Taking control of charge transfer: strategic design for solar cells. [Internet] [Doctoral dissertation]. Leiden Institute of Chemistry (LIC), Faculty of Science, Leiden University; 2015. [cited 2019 Oct 20]. Available from: http://hdl.handle.net/1887/37115.

Council of Science Editors:

Monti A. Taking control of charge transfer: strategic design for solar cells. [Doctoral Dissertation]. Leiden Institute of Chemistry (LIC), Faculty of Science, Leiden University; 2015. Available from: http://hdl.handle.net/1887/37115

23. Masili, Mauro. Acoplamentos não-adiabáticos pelo método hiperesférico.

Degree: Mestrado, Física Básica, 1993, University of São Paulo

Soluções não-adiabáticas em coordenadas hiperesférica para sistemas coulombianos de três corpos são apresentadas. Energias altamente precisas para o estado fundamental do hélio são obtidas, pela… (more)

Subjects/Keywords: Acoplamentos não-adiabáticos; Átomo de hélio; Energy levels; Helium atom; Hyperspherical method; Método hiperesférico; Níveis de energia; Nonadiabatic couplings

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APA (6th Edition):

Masili, M. (1993). Acoplamentos não-adiabáticos pelo método hiperesférico. (Masters Thesis). University of São Paulo. Retrieved from http://www.teses.usp.br/teses/disponiveis/54/54131/tde-05112008-122309/ ;

Chicago Manual of Style (16th Edition):

Masili, Mauro. “Acoplamentos não-adiabáticos pelo método hiperesférico.” 1993. Masters Thesis, University of São Paulo. Accessed October 20, 2019. http://www.teses.usp.br/teses/disponiveis/54/54131/tde-05112008-122309/ ;.

MLA Handbook (7th Edition):

Masili, Mauro. “Acoplamentos não-adiabáticos pelo método hiperesférico.” 1993. Web. 20 Oct 2019.

Vancouver:

Masili M. Acoplamentos não-adiabáticos pelo método hiperesférico. [Internet] [Masters thesis]. University of São Paulo; 1993. [cited 2019 Oct 20]. Available from: http://www.teses.usp.br/teses/disponiveis/54/54131/tde-05112008-122309/ ;.

Council of Science Editors:

Masili M. Acoplamentos não-adiabáticos pelo método hiperesférico. [Masters Thesis]. University of São Paulo; 1993. Available from: http://www.teses.usp.br/teses/disponiveis/54/54131/tde-05112008-122309/ ;

24. Zhu, Xiaolei. The Quasi-Diabatic Hamiltonian Approach to Accurate and Efficient Nonadiabatic Dynamics with Correct Treatment of Conical Intersection Seams.

Degree: 2014, Johns Hopkins University

 A method to simulate photoelectron spectra using quadratic local quasi-diabatic Hamiltonians (Hd) is generalized and augmented to enable high accuracy dynamics simulations of nonadiabatic processes… (more)

Subjects/Keywords: Conical Intersections; Nonadiabatic Processes; Chemical Dynamics; Electronic Structure; Potential Energy Surfaces

…8 CHAPTER 2 TOWARD HIGHLY EFFICIENT NONADIABATIC DYNAMICS ON THE FLY: AN ALGORITHM TO FIT… …electronic states can become involved, making the process nonadiabatic. The family of non-adiabatic… …polynomials1,2, Shepard interpolation3 or moving least squares technique4. However, nonadiabatic… …nonadiabatic interactions are most prominent near such singularities, making their description a… …crucial task for nonadiabatic dynamic simulations. Therefore, special treatment is necessary… 

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APA (6th Edition):

Zhu, X. (2014). The Quasi-Diabatic Hamiltonian Approach to Accurate and Efficient Nonadiabatic Dynamics with Correct Treatment of Conical Intersection Seams. (Thesis). Johns Hopkins University. Retrieved from http://jhir.library.jhu.edu/handle/1774.2/37011

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):

Zhu, Xiaolei. “The Quasi-Diabatic Hamiltonian Approach to Accurate and Efficient Nonadiabatic Dynamics with Correct Treatment of Conical Intersection Seams.” 2014. Thesis, Johns Hopkins University. Accessed October 20, 2019. http://jhir.library.jhu.edu/handle/1774.2/37011.

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

MLA Handbook (7th Edition):

Zhu, Xiaolei. “The Quasi-Diabatic Hamiltonian Approach to Accurate and Efficient Nonadiabatic Dynamics with Correct Treatment of Conical Intersection Seams.” 2014. Web. 20 Oct 2019.

Vancouver:

Zhu X. The Quasi-Diabatic Hamiltonian Approach to Accurate and Efficient Nonadiabatic Dynamics with Correct Treatment of Conical Intersection Seams. [Internet] [Thesis]. Johns Hopkins University; 2014. [cited 2019 Oct 20]. Available from: http://jhir.library.jhu.edu/handle/1774.2/37011.

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

Council of Science Editors:

Zhu X. The Quasi-Diabatic Hamiltonian Approach to Accurate and Efficient Nonadiabatic Dynamics with Correct Treatment of Conical Intersection Seams. [Thesis]. Johns Hopkins University; 2014. Available from: http://jhir.library.jhu.edu/handle/1774.2/37011

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

25. Dou, Wenjie. Modeling Nonadiabatic Dynamics At Molecule-Metal Interfaces.

Degree: 2018, University of Pennsylvania

 The coupled electronic-nuclear dynamics at molecule-metal interfaces are fundamental processes that underlie many distinct areas of science: from electrochemistry, chemisorption, heterogeneous catalysis, quantum dots, all… (more)

Subjects/Keywords: chemisorption; electronic friction; interfaces; metal; nonadiabatic dynamics; surface hopping; Physical Chemistry

…78 CHAPTER 5 : A broadened classical master equation approach for nonadiabatic dynamics… …FIGURE 3 : 8 Surface hopping view of nonadiabatic dynamics at molecule-metal interfaces. Blue… …nonadiabatic coupling and Eq. 1.7 is greatly simplified ĤBO |χI i = E|χI i 2 (1.10)… …the ground state PES (E0 ). 1.2. Nonadiabatic dynamics: Tully’s fewest switch… …dynamics. Probably the most commonly used approach to handle nonadiabatic dynamics is fewest… 

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APA (6th Edition):

Dou, W. (2018). Modeling Nonadiabatic Dynamics At Molecule-Metal Interfaces. (Thesis). University of Pennsylvania. Retrieved from https://repository.upenn.edu/edissertations/2699

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):

Dou, Wenjie. “Modeling Nonadiabatic Dynamics At Molecule-Metal Interfaces.” 2018. Thesis, University of Pennsylvania. Accessed October 20, 2019. https://repository.upenn.edu/edissertations/2699.

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

MLA Handbook (7th Edition):

Dou, Wenjie. “Modeling Nonadiabatic Dynamics At Molecule-Metal Interfaces.” 2018. Web. 20 Oct 2019.

Vancouver:

Dou W. Modeling Nonadiabatic Dynamics At Molecule-Metal Interfaces. [Internet] [Thesis]. University of Pennsylvania; 2018. [cited 2019 Oct 20]. Available from: https://repository.upenn.edu/edissertations/2699.

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

Council of Science Editors:

Dou W. Modeling Nonadiabatic Dynamics At Molecule-Metal Interfaces. [Thesis]. University of Pennsylvania; 2018. Available from: https://repository.upenn.edu/edissertations/2699

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

26. Raymond, Neil. A path integral Monte Carlo method for obtaining thermodynamic properties of nonadiabatic systems.

Degree: 2017, University of Waterloo

 The calculation of thermochemical properties is an important goal of quantum chemistry. Calculation techniques are well established for stable molecules. They are used routinely to… (more)

Subjects/Keywords: path integral monte carlo; computational chemistry; quantum chemistry; thermodynamic properties; statistical mechanics; vibronic model; nonadiabatic systems

…x5B;6, 7]. 1.3 Nonadiabatic systems In theory, macroscopic properties can be… …nonadiabatic systems. The approximations in Figure 1.2 are not sufficient to describe nonadiabatic… …systems. Nonadiabatic systems and their effects are of interest in many different areas of… …nonadiabatic effects [10]. A second example, the stability of deoxyribonucleic acid (… …nonadiabatic effect. After being electronically excited, DNA undergoes thermal relaxation; this… 

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APA (6th Edition):

Raymond, N. (2017). A path integral Monte Carlo method for obtaining thermodynamic properties of nonadiabatic systems. (Thesis). University of Waterloo. Retrieved from http://hdl.handle.net/10012/12430

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):

Raymond, Neil. “A path integral Monte Carlo method for obtaining thermodynamic properties of nonadiabatic systems.” 2017. Thesis, University of Waterloo. Accessed October 20, 2019. http://hdl.handle.net/10012/12430.

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

MLA Handbook (7th Edition):

Raymond, Neil. “A path integral Monte Carlo method for obtaining thermodynamic properties of nonadiabatic systems.” 2017. Web. 20 Oct 2019.

Vancouver:

Raymond N. A path integral Monte Carlo method for obtaining thermodynamic properties of nonadiabatic systems. [Internet] [Thesis]. University of Waterloo; 2017. [cited 2019 Oct 20]. Available from: http://hdl.handle.net/10012/12430.

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

Council of Science Editors:

Raymond N. A path integral Monte Carlo method for obtaining thermodynamic properties of nonadiabatic systems. [Thesis]. University of Waterloo; 2017. Available from: http://hdl.handle.net/10012/12430

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


Freie Universität Berlin

27. Wagner, Steffen. Zeit- und zustandsaufgelöste Untersuchungen zum Energie-Transfer bei Femtosekunden-Laser induzierter assoziativer Desorption.

Degree: 2006, Freie Universität Berlin

 Die vorliegende Arbeit untersucht die Reaktionsmechanismen der Femtosekunden (fs)-laser-induzierten assoziativen Desorption von Metalloberflächen. Der Energietransfer zwischen Metallsubstrat und Adsorbat findet, vermittelt durch Kopplung an die… (more)

Subjects/Keywords: ultrafast surface reaction desorption nonadiabatic femtosecond; 500 Naturwissenschaften und Mathematik::530 Physik::530 Physik

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APA (6th Edition):

Wagner, S. (2006). Zeit- und zustandsaufgelöste Untersuchungen zum Energie-Transfer bei Femtosekunden-Laser induzierter assoziativer Desorption. (Thesis). Freie Universität Berlin. Retrieved from http://dx.doi.org/10.17169/refubium-5652

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):

Wagner, Steffen. “Zeit- und zustandsaufgelöste Untersuchungen zum Energie-Transfer bei Femtosekunden-Laser induzierter assoziativer Desorption.” 2006. Thesis, Freie Universität Berlin. Accessed October 20, 2019. http://dx.doi.org/10.17169/refubium-5652.

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

MLA Handbook (7th Edition):

Wagner, Steffen. “Zeit- und zustandsaufgelöste Untersuchungen zum Energie-Transfer bei Femtosekunden-Laser induzierter assoziativer Desorption.” 2006. Web. 20 Oct 2019.

Vancouver:

Wagner S. Zeit- und zustandsaufgelöste Untersuchungen zum Energie-Transfer bei Femtosekunden-Laser induzierter assoziativer Desorption. [Internet] [Thesis]. Freie Universität Berlin; 2006. [cited 2019 Oct 20]. Available from: http://dx.doi.org/10.17169/refubium-5652.

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

Council of Science Editors:

Wagner S. Zeit- und zustandsaufgelöste Untersuchungen zum Energie-Transfer bei Femtosekunden-Laser induzierter assoziativer Desorption. [Thesis]. Freie Universität Berlin; 2006. Available from: http://dx.doi.org/10.17169/refubium-5652

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

.