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You searched for subject:(Multireference). Showing records 1 – 25 of 25 total matches.

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1. Timian, Eric. Relativistic Multireference Perturbation Theory With Applications To D And F Block Metal Systems.

Degree: PhD, Chemistry, 2018, University of North Dakota

  Electronic structure theory programs strive to be as widely applicable as possible. In order to account for effects exhibited by heavier elements, relativistic considerations… (more)

Subjects/Keywords: Chemistry; Dimer; Lanthanide; Multireference; Perturbation Theory; Relativistic

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APA (6th Edition):

Timian, E. (2018). Relativistic Multireference Perturbation Theory With Applications To D And F Block Metal Systems. (Doctoral Dissertation). University of North Dakota. Retrieved from https://commons.und.edu/theses/2365

Chicago Manual of Style (16th Edition):

Timian, Eric. “Relativistic Multireference Perturbation Theory With Applications To D And F Block Metal Systems.” 2018. Doctoral Dissertation, University of North Dakota. Accessed April 18, 2021. https://commons.und.edu/theses/2365.

MLA Handbook (7th Edition):

Timian, Eric. “Relativistic Multireference Perturbation Theory With Applications To D And F Block Metal Systems.” 2018. Web. 18 Apr 2021.

Vancouver:

Timian E. Relativistic Multireference Perturbation Theory With Applications To D And F Block Metal Systems. [Internet] [Doctoral dissertation]. University of North Dakota; 2018. [cited 2021 Apr 18]. Available from: https://commons.und.edu/theses/2365.

Council of Science Editors:

Timian E. Relativistic Multireference Perturbation Theory With Applications To D And F Block Metal Systems. [Doctoral Dissertation]. University of North Dakota; 2018. Available from: https://commons.und.edu/theses/2365


Princeton University

2. Taffet, Elliot. Unmasking Underlying Molecular Photophysical Mechanisms Using Quantum Chemistry .

Degree: PhD, 2019, Princeton University

 Quantum chemistry is performed on biological chromophores in light harvesting and synthetic chromophores in targeted photochemical applications to elucidate how molecular electronic structure impacts their… (more)

Subjects/Keywords: exchange; fission; fluorescence; multireference; photophysics; spectroscopy

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APA (6th Edition):

Taffet, E. (2019). Unmasking Underlying Molecular Photophysical Mechanisms Using Quantum Chemistry . (Doctoral Dissertation). Princeton University. Retrieved from http://arks.princeton.edu/ark:/88435/dsp017w62fc131

Chicago Manual of Style (16th Edition):

Taffet, Elliot. “Unmasking Underlying Molecular Photophysical Mechanisms Using Quantum Chemistry .” 2019. Doctoral Dissertation, Princeton University. Accessed April 18, 2021. http://arks.princeton.edu/ark:/88435/dsp017w62fc131.

MLA Handbook (7th Edition):

Taffet, Elliot. “Unmasking Underlying Molecular Photophysical Mechanisms Using Quantum Chemistry .” 2019. Web. 18 Apr 2021.

Vancouver:

Taffet E. Unmasking Underlying Molecular Photophysical Mechanisms Using Quantum Chemistry . [Internet] [Doctoral dissertation]. Princeton University; 2019. [cited 2021 Apr 18]. Available from: http://arks.princeton.edu/ark:/88435/dsp017w62fc131.

Council of Science Editors:

Taffet E. Unmasking Underlying Molecular Photophysical Mechanisms Using Quantum Chemistry . [Doctoral Dissertation]. Princeton University; 2019. Available from: http://arks.princeton.edu/ark:/88435/dsp017w62fc131

3. Hicks, Jason M. Computational Studies Of Oxides Relevant To Clean Energy, Catalytic Processing Of Renewables, And Biological Systems.

Degree: PhD, Chemistry, 2018, University of North Dakota

  Computational chemistry has grown into a large field and is continuing to grow every year in both number and variety of applications. This dissertation… (more)

Subjects/Keywords: Cu2O2; electronic structure theory; GVVPT2; lignin; metalloid oxides; multireference perturbation theory

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APA (6th Edition):

Hicks, J. M. (2018). Computational Studies Of Oxides Relevant To Clean Energy, Catalytic Processing Of Renewables, And Biological Systems. (Doctoral Dissertation). University of North Dakota. Retrieved from https://commons.und.edu/theses/2232

Chicago Manual of Style (16th Edition):

Hicks, Jason M. “Computational Studies Of Oxides Relevant To Clean Energy, Catalytic Processing Of Renewables, And Biological Systems.” 2018. Doctoral Dissertation, University of North Dakota. Accessed April 18, 2021. https://commons.und.edu/theses/2232.

MLA Handbook (7th Edition):

Hicks, Jason M. “Computational Studies Of Oxides Relevant To Clean Energy, Catalytic Processing Of Renewables, And Biological Systems.” 2018. Web. 18 Apr 2021.

Vancouver:

Hicks JM. Computational Studies Of Oxides Relevant To Clean Energy, Catalytic Processing Of Renewables, And Biological Systems. [Internet] [Doctoral dissertation]. University of North Dakota; 2018. [cited 2021 Apr 18]. Available from: https://commons.und.edu/theses/2232.

Council of Science Editors:

Hicks JM. Computational Studies Of Oxides Relevant To Clean Energy, Catalytic Processing Of Renewables, And Biological Systems. [Doctoral Dissertation]. University of North Dakota; 2018. Available from: https://commons.und.edu/theses/2232

4. Li, Run. Theory And Application Development Of Electronic Structure Methods Involving Heavy Computation.

Degree: PhD, Chemistry, 2017, University of North Dakota

  The propargyl radical, the most stable isomer of C3H3, is very important in combustion reactions. However, theoretical calculations have never been able to find… (more)

Subjects/Keywords: electronic structure theory; GVVPT2; MPI; MRCISD(TQ); multireference perturbation theory; parallelization

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APA (6th Edition):

Li, R. (2017). Theory And Application Development Of Electronic Structure Methods Involving Heavy Computation. (Doctoral Dissertation). University of North Dakota. Retrieved from https://commons.und.edu/theses/2269

Chicago Manual of Style (16th Edition):

Li, Run. “Theory And Application Development Of Electronic Structure Methods Involving Heavy Computation.” 2017. Doctoral Dissertation, University of North Dakota. Accessed April 18, 2021. https://commons.und.edu/theses/2269.

MLA Handbook (7th Edition):

Li, Run. “Theory And Application Development Of Electronic Structure Methods Involving Heavy Computation.” 2017. Web. 18 Apr 2021.

Vancouver:

Li R. Theory And Application Development Of Electronic Structure Methods Involving Heavy Computation. [Internet] [Doctoral dissertation]. University of North Dakota; 2017. [cited 2021 Apr 18]. Available from: https://commons.und.edu/theses/2269.

Council of Science Editors:

Li R. Theory And Application Development Of Electronic Structure Methods Involving Heavy Computation. [Doctoral Dissertation]. University of North Dakota; 2017. Available from: https://commons.und.edu/theses/2269


University of Waterloo

5. Huntington, Lee Michael. Development of an Automatic Code Generator and Implementation of Multireference Equation of Motion Coupled-Cluster Theory in the ORCA Program Package.

Degree: 2015, University of Waterloo

 Over the past 50 years, single-reference coupled-cluster theory has emerged as a cornerstone of quantum chemistry. While it is an accurate methodology for the calculation… (more)

Subjects/Keywords: Coupled-Cluster Theory; Excited States; Multireference Coupled-Cluster; Automatic Code Generation

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APA (6th Edition):

Huntington, L. M. (2015). Development of an Automatic Code Generator and Implementation of Multireference Equation of Motion Coupled-Cluster Theory in the ORCA Program Package. (Thesis). University of Waterloo. Retrieved from http://hdl.handle.net/10012/9778

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):

Huntington, Lee Michael. “Development of an Automatic Code Generator and Implementation of Multireference Equation of Motion Coupled-Cluster Theory in the ORCA Program Package.” 2015. Thesis, University of Waterloo. Accessed April 18, 2021. http://hdl.handle.net/10012/9778.

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

MLA Handbook (7th Edition):

Huntington, Lee Michael. “Development of an Automatic Code Generator and Implementation of Multireference Equation of Motion Coupled-Cluster Theory in the ORCA Program Package.” 2015. Web. 18 Apr 2021.

Vancouver:

Huntington LM. Development of an Automatic Code Generator and Implementation of Multireference Equation of Motion Coupled-Cluster Theory in the ORCA Program Package. [Internet] [Thesis]. University of Waterloo; 2015. [cited 2021 Apr 18]. Available from: http://hdl.handle.net/10012/9778.

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

Council of Science Editors:

Huntington LM. Development of an Automatic Code Generator and Implementation of Multireference Equation of Motion Coupled-Cluster Theory in the ORCA Program Package. [Thesis]. University of Waterloo; 2015. Available from: http://hdl.handle.net/10012/9778

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


University of Georgia

6. Evangelista, Francesco. Multireference coupled cluster theory.

Degree: 2014, University of Georgia

 In this dissertation we have developed and applied the state specific multireference coupled cluster theory suggested by Mukherjee and co workers (Mk-MRCC). For model systems,… (more)

Subjects/Keywords: coupled cluster theory; multireference; open-shell; diradical; benzyne

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APA (6th Edition):

Evangelista, F. (2014). Multireference coupled cluster theory. (Thesis). University of Georgia. Retrieved from http://hdl.handle.net/10724/25175

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):

Evangelista, Francesco. “Multireference coupled cluster theory.” 2014. Thesis, University of Georgia. Accessed April 18, 2021. http://hdl.handle.net/10724/25175.

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

MLA Handbook (7th Edition):

Evangelista, Francesco. “Multireference coupled cluster theory.” 2014. Web. 18 Apr 2021.

Vancouver:

Evangelista F. Multireference coupled cluster theory. [Internet] [Thesis]. University of Georgia; 2014. [cited 2021 Apr 18]. Available from: http://hdl.handle.net/10724/25175.

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

Council of Science Editors:

Evangelista F. Multireference coupled cluster theory. [Thesis]. University of Georgia; 2014. Available from: http://hdl.handle.net/10724/25175

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


University of Waterloo

7. Yao, Jingfei. The Electronic Structures of Cobalt-containing Diatomic Molecules.

Degree: 2016, University of Waterloo

 Theoretical investigations of the electronic structures of several metal-containing diatomic species (i.e., Co2+, Co+•RG (RG=He, Ar, Kr), Au+Ar, and Ag+Ar) have been conducted. In this… (more)

Subjects/Keywords: Multireference Configuration Interaction (MRCI); Multireference Equation-of-Motion Coupled Cluster Theory (MREOM-CC); Potential Energy Curves (PECs); Cobalt Cation with Rare Gas

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APA (6th Edition):

Yao, J. (2016). The Electronic Structures of Cobalt-containing Diatomic Molecules. (Thesis). University of Waterloo. Retrieved from http://hdl.handle.net/10012/10958

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):

Yao, Jingfei. “The Electronic Structures of Cobalt-containing Diatomic Molecules.” 2016. Thesis, University of Waterloo. Accessed April 18, 2021. http://hdl.handle.net/10012/10958.

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

MLA Handbook (7th Edition):

Yao, Jingfei. “The Electronic Structures of Cobalt-containing Diatomic Molecules.” 2016. Web. 18 Apr 2021.

Vancouver:

Yao J. The Electronic Structures of Cobalt-containing Diatomic Molecules. [Internet] [Thesis]. University of Waterloo; 2016. [cited 2021 Apr 18]. Available from: http://hdl.handle.net/10012/10958.

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

Council of Science Editors:

Yao J. The Electronic Structures of Cobalt-containing Diatomic Molecules. [Thesis]. University of Waterloo; 2016. Available from: http://hdl.handle.net/10012/10958

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


Princeton University

8. Morais Carreira Pereira, Joao. Information theoretic aspects of cryo-electron microscopy .

Degree: PhD, 2019, Princeton University

 In the problem of single particle reconstruction in cryo-electron microscopy (cryo-EM), we want to recover the 3D electrostatic potential of a molecule from noisy 2D… (more)

Subjects/Keywords: Cryo-electron microscopy; information theory; method of moments; multireference alignment; sample complexity; tensor decomposition

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APA (6th Edition):

Morais Carreira Pereira, J. (2019). Information theoretic aspects of cryo-electron microscopy . (Doctoral Dissertation). Princeton University. Retrieved from http://arks.princeton.edu/ark:/88435/dsp01rj430743n

Chicago Manual of Style (16th Edition):

Morais Carreira Pereira, Joao. “Information theoretic aspects of cryo-electron microscopy .” 2019. Doctoral Dissertation, Princeton University. Accessed April 18, 2021. http://arks.princeton.edu/ark:/88435/dsp01rj430743n.

MLA Handbook (7th Edition):

Morais Carreira Pereira, Joao. “Information theoretic aspects of cryo-electron microscopy .” 2019. Web. 18 Apr 2021.

Vancouver:

Morais Carreira Pereira J. Information theoretic aspects of cryo-electron microscopy . [Internet] [Doctoral dissertation]. Princeton University; 2019. [cited 2021 Apr 18]. Available from: http://arks.princeton.edu/ark:/88435/dsp01rj430743n.

Council of Science Editors:

Morais Carreira Pereira J. Information theoretic aspects of cryo-electron microscopy . [Doctoral Dissertation]. Princeton University; 2019. Available from: http://arks.princeton.edu/ark:/88435/dsp01rj430743n


Princeton University

9. Morais Carreira Pereira, Joao. Information theoretic aspects of cryo-electron microscopy .

Degree: PhD, 2019, Princeton University

 In the problem of single particle reconstruction in cryo-electron microscopy (cryo-EM), we want to recover the 3D electrostatic potential of a molecule from noisy 2D… (more)

Subjects/Keywords: Cryo-electron microscopy; information theory; method of moments; multireference alignment; sample complexity; tensor decomposition

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APA (6th Edition):

Morais Carreira Pereira, J. (2019). Information theoretic aspects of cryo-electron microscopy . (Doctoral Dissertation). Princeton University. Retrieved from http://arks.princeton.edu/ark:/88435/dsp019s1619052

Chicago Manual of Style (16th Edition):

Morais Carreira Pereira, Joao. “Information theoretic aspects of cryo-electron microscopy .” 2019. Doctoral Dissertation, Princeton University. Accessed April 18, 2021. http://arks.princeton.edu/ark:/88435/dsp019s1619052.

MLA Handbook (7th Edition):

Morais Carreira Pereira, Joao. “Information theoretic aspects of cryo-electron microscopy .” 2019. Web. 18 Apr 2021.

Vancouver:

Morais Carreira Pereira J. Information theoretic aspects of cryo-electron microscopy . [Internet] [Doctoral dissertation]. Princeton University; 2019. [cited 2021 Apr 18]. Available from: http://arks.princeton.edu/ark:/88435/dsp019s1619052.

Council of Science Editors:

Morais Carreira Pereira J. Information theoretic aspects of cryo-electron microscopy . [Doctoral Dissertation]. Princeton University; 2019. Available from: http://arks.princeton.edu/ark:/88435/dsp019s1619052


University of Georgia

10. Vaughn, Alexander Edward. Applications of multireference coupled cluster theory.

Degree: 2014, University of Georgia

 In this work, Mukherjee multireference and single reference coupled cluster theory has been applied to the cyclobutanetetraone and trimethylene systems. Computations performed on cyclobutanetetraone have… (more)

Subjects/Keywords: multireference coupled cluster theory; thermochemistry; cyclobutanetetraone; cyclopropane; unusual triplet ground state; Hund’s Rule; intersystem crossing

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APA (6th Edition):

Vaughn, A. E. (2014). Applications of multireference coupled cluster theory. (Thesis). University of Georgia. Retrieved from http://hdl.handle.net/10724/30687

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):

Vaughn, Alexander Edward. “Applications of multireference coupled cluster theory.” 2014. Thesis, University of Georgia. Accessed April 18, 2021. http://hdl.handle.net/10724/30687.

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

MLA Handbook (7th Edition):

Vaughn, Alexander Edward. “Applications of multireference coupled cluster theory.” 2014. Web. 18 Apr 2021.

Vancouver:

Vaughn AE. Applications of multireference coupled cluster theory. [Internet] [Thesis]. University of Georgia; 2014. [cited 2021 Apr 18]. Available from: http://hdl.handle.net/10724/30687.

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

Council of Science Editors:

Vaughn AE. Applications of multireference coupled cluster theory. [Thesis]. University of Georgia; 2014. Available from: http://hdl.handle.net/10724/30687

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


Bowling Green State University

11. Borin, Veniamin Aleksandrovich. A Computational Study of Diiodomethane Photoisomerization.

Degree: PhD, Photochemical Sciences, 2016, Bowling Green State University

 This work gives the detailed description of the dynamics and mechanism of the previouslyunsuspected photochemical reaction path of diiodomethane (CH2I2), a paradigmatic haloalkane,which is direct… (more)

Subjects/Keywords: Chemistry; Physics; CASPT2; Multireference methods; Computational chemistry; Diiodomethane; Resonance structures; Molecular dynamics

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APA (6th Edition):

Borin, V. A. (2016). A Computational Study of Diiodomethane Photoisomerization. (Doctoral Dissertation). Bowling Green State University. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=bgsu1477581227858711

Chicago Manual of Style (16th Edition):

Borin, Veniamin Aleksandrovich. “A Computational Study of Diiodomethane Photoisomerization.” 2016. Doctoral Dissertation, Bowling Green State University. Accessed April 18, 2021. http://rave.ohiolink.edu/etdc/view?acc_num=bgsu1477581227858711.

MLA Handbook (7th Edition):

Borin, Veniamin Aleksandrovich. “A Computational Study of Diiodomethane Photoisomerization.” 2016. Web. 18 Apr 2021.

Vancouver:

Borin VA. A Computational Study of Diiodomethane Photoisomerization. [Internet] [Doctoral dissertation]. Bowling Green State University; 2016. [cited 2021 Apr 18]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=bgsu1477581227858711.

Council of Science Editors:

Borin VA. A Computational Study of Diiodomethane Photoisomerization. [Doctoral Dissertation]. Bowling Green State University; 2016. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=bgsu1477581227858711


University of Waterloo

12. Wu, Siyuan. Investigations of Magnetic Model Systems Using Coupled Cluster Based Approaches.

Degree: 2017, University of Waterloo

 Over the past decades, the quantum mechanical description of magnetic phenomena has been well developed. However, the first principle calculations of the physical properties of… (more)

Subjects/Keywords: Model magnetic Hamiltonians; Multireference equation of motion coupled cluster (MREOM-CC); Spin-orbit coupling; Effective Hamiltonian approach

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APA (6th Edition):

Wu, S. (2017). Investigations of Magnetic Model Systems Using Coupled Cluster Based Approaches. (Thesis). University of Waterloo. Retrieved from http://hdl.handle.net/10012/12186

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):

Wu, Siyuan. “Investigations of Magnetic Model Systems Using Coupled Cluster Based Approaches.” 2017. Thesis, University of Waterloo. Accessed April 18, 2021. http://hdl.handle.net/10012/12186.

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

MLA Handbook (7th Edition):

Wu, Siyuan. “Investigations of Magnetic Model Systems Using Coupled Cluster Based Approaches.” 2017. Web. 18 Apr 2021.

Vancouver:

Wu S. Investigations of Magnetic Model Systems Using Coupled Cluster Based Approaches. [Internet] [Thesis]. University of Waterloo; 2017. [cited 2021 Apr 18]. Available from: http://hdl.handle.net/10012/12186.

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

Council of Science Editors:

Wu S. Investigations of Magnetic Model Systems Using Coupled Cluster Based Approaches. [Thesis]. University of Waterloo; 2017. Available from: http://hdl.handle.net/10012/12186

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


University of Georgia

13. Magers, David Brandon. Overcoming three theoretical challenges in high accuracy ab initio electronic structure theory.

Degree: 2014, University of Georgia

 Modern ab initio electronic theory provides an accurate method to compute molecular properties of subchemical accuracy. Despite recent advances and developments, many challenges arise that… (more)

Subjects/Keywords: coupled cluster theory; multireference coupled cluster theory; Møller-Plesset theory; basis set extrapolation; focal point analysis

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APA (6th Edition):

Magers, D. B. (2014). Overcoming three theoretical challenges in high accuracy ab initio electronic structure theory. (Thesis). University of Georgia. Retrieved from http://hdl.handle.net/10724/30534

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):

Magers, David Brandon. “Overcoming three theoretical challenges in high accuracy ab initio electronic structure theory.” 2014. Thesis, University of Georgia. Accessed April 18, 2021. http://hdl.handle.net/10724/30534.

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

MLA Handbook (7th Edition):

Magers, David Brandon. “Overcoming three theoretical challenges in high accuracy ab initio electronic structure theory.” 2014. Web. 18 Apr 2021.

Vancouver:

Magers DB. Overcoming three theoretical challenges in high accuracy ab initio electronic structure theory. [Internet] [Thesis]. University of Georgia; 2014. [cited 2021 Apr 18]. Available from: http://hdl.handle.net/10724/30534.

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

Council of Science Editors:

Magers DB. Overcoming three theoretical challenges in high accuracy ab initio electronic structure theory. [Thesis]. University of Georgia; 2014. Available from: http://hdl.handle.net/10724/30534

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


Johannes Gutenberg Universität Mainz

14. Prochnow, Eric. New developments in state-specific multireference coupled-cluster theory.

Degree: 2010, Johannes Gutenberg Universität Mainz

Coupled-cluster theory in its single-reference formulation represents one of the most successful approaches in quantum chemistry for the description of atoms and molecules. To extend… (more)

Subjects/Keywords: Quantenchemie, Mukherjee Multireferenz-Coupled-Cluster, Analytische Gradienten, Parallelisierung, Biradikale; quantum chemistry, Mukherjee multireference coupled-cluster, analytic gradients, parallelization, biradicals; Chemistry and allied sciences

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APA (6th Edition):

Prochnow, E. (2010). New developments in state-specific multireference coupled-cluster theory. (Doctoral Dissertation). Johannes Gutenberg Universität Mainz. Retrieved from http://ubm.opus.hbz-nrw.de/volltexte/2010/2446/

Chicago Manual of Style (16th Edition):

Prochnow, Eric. “New developments in state-specific multireference coupled-cluster theory.” 2010. Doctoral Dissertation, Johannes Gutenberg Universität Mainz. Accessed April 18, 2021. http://ubm.opus.hbz-nrw.de/volltexte/2010/2446/.

MLA Handbook (7th Edition):

Prochnow, Eric. “New developments in state-specific multireference coupled-cluster theory.” 2010. Web. 18 Apr 2021.

Vancouver:

Prochnow E. New developments in state-specific multireference coupled-cluster theory. [Internet] [Doctoral dissertation]. Johannes Gutenberg Universität Mainz; 2010. [cited 2021 Apr 18]. Available from: http://ubm.opus.hbz-nrw.de/volltexte/2010/2446/.

Council of Science Editors:

Prochnow E. New developments in state-specific multireference coupled-cluster theory. [Doctoral Dissertation]. Johannes Gutenberg Universität Mainz; 2010. Available from: http://ubm.opus.hbz-nrw.de/volltexte/2010/2446/


Johannes Gutenberg Universität Mainz

15. Hanauer, Matthias. Internally contracted multireference coupled-cluster methods.

Degree: 2013, Johannes Gutenberg Universität Mainz

This thesis details the development of quantum chemical methods for the accurate theoretical description of molecular systems with a complicated electronic structure. In simple cases,… (more)

Subjects/Keywords: Quantenchemie; elektronische Struktur; Coupled-Cluster-Theorie; Multireferenz; Übergangsmetallverbindungen; quantum chemistry; electronic structure; coupled-cluster theory; multireference; transition metal compounds; Chemistry and allied sciences

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APA (6th Edition):

Hanauer, M. (2013). Internally contracted multireference coupled-cluster methods. (Doctoral Dissertation). Johannes Gutenberg Universität Mainz. Retrieved from http://ubm.opus.hbz-nrw.de/volltexte/2013/3423/

Chicago Manual of Style (16th Edition):

Hanauer, Matthias. “Internally contracted multireference coupled-cluster methods.” 2013. Doctoral Dissertation, Johannes Gutenberg Universität Mainz. Accessed April 18, 2021. http://ubm.opus.hbz-nrw.de/volltexte/2013/3423/.

MLA Handbook (7th Edition):

Hanauer, Matthias. “Internally contracted multireference coupled-cluster methods.” 2013. Web. 18 Apr 2021.

Vancouver:

Hanauer M. Internally contracted multireference coupled-cluster methods. [Internet] [Doctoral dissertation]. Johannes Gutenberg Universität Mainz; 2013. [cited 2021 Apr 18]. Available from: http://ubm.opus.hbz-nrw.de/volltexte/2013/3423/.

Council of Science Editors:

Hanauer M. Internally contracted multireference coupled-cluster methods. [Doctoral Dissertation]. Johannes Gutenberg Universität Mainz; 2013. Available from: http://ubm.opus.hbz-nrw.de/volltexte/2013/3423/


University of Georgia

16. DeYonker, Nathan J. Transition-metals and excited states.

Degree: 2014, University of Georgia

 Two sets of molecular isomers, the iron monoisocyanide (FeNC) / iron monocyanide (FeCN) pair, and the hydroboron monoxide (HBO) / boron hydroxide (BOH) pair, are… (more)

Subjects/Keywords: ab initio quantum chemistry; equation-of-motion coupled cluster; coupled cluster; multireference configuration interaction; transition metals; iron cyanide; FeNC; FeCN; boron hydroxide; BOH; HBO; excited electronic state

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

APA (6th Edition):

DeYonker, N. J. (2014). Transition-metals and excited states. (Thesis). University of Georgia. Retrieved from http://hdl.handle.net/10724/22336

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):

DeYonker, Nathan J. “Transition-metals and excited states.” 2014. Thesis, University of Georgia. Accessed April 18, 2021. http://hdl.handle.net/10724/22336.

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

MLA Handbook (7th Edition):

DeYonker, Nathan J. “Transition-metals and excited states.” 2014. Web. 18 Apr 2021.

Vancouver:

DeYonker NJ. Transition-metals and excited states. [Internet] [Thesis]. University of Georgia; 2014. [cited 2021 Apr 18]. Available from: http://hdl.handle.net/10724/22336.

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

Council of Science Editors:

DeYonker NJ. Transition-metals and excited states. [Thesis]. University of Georgia; 2014. Available from: http://hdl.handle.net/10724/22336

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

17. Canfora, Rosanna. Patient sujet dans l'institution : observation et comparaison franco-italiennes. Pratiques de le rencontre anti-institutionnelle Entre Basaglia et Tosquelles : The patient as subject in the institution : examination and comparison of France and Italy.

Degree: Docteur es, Psychologie. Recherches en psychanalyse et psychopatologie, 2018, Sorbonne Paris Cité

L’idée qui traverse l’ensemble de la thèse est la possibilité de la rencontre de deux mouvements : Psichiatria democratica et la psychothérapie institutionnelle, de deux… (more)

Subjects/Keywords: Psichiatria democratica; Anti-institution; Basaglia, Franco (1924-1980); Tosquelles, François (1912-1994); Institutional psychotherapy; Relations patient-doctor; Therapeutic club; Multireference transfert; Subjectivity; Medicalization; Anti-institution

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

APA (6th Edition):

Canfora, R. (2018). Patient sujet dans l'institution : observation et comparaison franco-italiennes. Pratiques de le rencontre anti-institutionnelle Entre Basaglia et Tosquelles : The patient as subject in the institution : examination and comparison of France and Italy. (Doctoral Dissertation). Sorbonne Paris Cité. Retrieved from http://www.theses.fr/2018USPCC059

Chicago Manual of Style (16th Edition):

Canfora, Rosanna. “Patient sujet dans l'institution : observation et comparaison franco-italiennes. Pratiques de le rencontre anti-institutionnelle Entre Basaglia et Tosquelles : The patient as subject in the institution : examination and comparison of France and Italy.” 2018. Doctoral Dissertation, Sorbonne Paris Cité. Accessed April 18, 2021. http://www.theses.fr/2018USPCC059.

MLA Handbook (7th Edition):

Canfora, Rosanna. “Patient sujet dans l'institution : observation et comparaison franco-italiennes. Pratiques de le rencontre anti-institutionnelle Entre Basaglia et Tosquelles : The patient as subject in the institution : examination and comparison of France and Italy.” 2018. Web. 18 Apr 2021.

Vancouver:

Canfora R. Patient sujet dans l'institution : observation et comparaison franco-italiennes. Pratiques de le rencontre anti-institutionnelle Entre Basaglia et Tosquelles : The patient as subject in the institution : examination and comparison of France and Italy. [Internet] [Doctoral dissertation]. Sorbonne Paris Cité; 2018. [cited 2021 Apr 18]. Available from: http://www.theses.fr/2018USPCC059.

Council of Science Editors:

Canfora R. Patient sujet dans l'institution : observation et comparaison franco-italiennes. Pratiques de le rencontre anti-institutionnelle Entre Basaglia et Tosquelles : The patient as subject in the institution : examination and comparison of France and Italy. [Doctoral Dissertation]. Sorbonne Paris Cité; 2018. Available from: http://www.theses.fr/2018USPCC059


University of Georgia

18. Turney, Justin Matthew. Applications of coupled cluster theory on AI, Li, N, and O-containing small molecules.

Degree: 2014, University of Georgia

 Two sets of isomers, dialuminum monoxide (AlOAl / AlAlO) and lithium nitroxide (LiON / LiNO), are investigated with a variety of high-level ab initio techniques.… (more)

Subjects/Keywords: ab initio quantum chemistry; coupled cluster; multireference configuration interaction; multiconfiguration self consistent field; complete active space self consistent field; dialuminum monoxide; AlOAl; AlAlO; lithium nitroxide; LiON; LiNO; potential ene

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APA (6th Edition):

Turney, J. M. (2014). Applications of coupled cluster theory on AI, Li, N, and O-containing small molecules. (Thesis). University of Georgia. Retrieved from http://hdl.handle.net/10724/23266

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):

Turney, Justin Matthew. “Applications of coupled cluster theory on AI, Li, N, and O-containing small molecules.” 2014. Thesis, University of Georgia. Accessed April 18, 2021. http://hdl.handle.net/10724/23266.

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

MLA Handbook (7th Edition):

Turney, Justin Matthew. “Applications of coupled cluster theory on AI, Li, N, and O-containing small molecules.” 2014. Web. 18 Apr 2021.

Vancouver:

Turney JM. Applications of coupled cluster theory on AI, Li, N, and O-containing small molecules. [Internet] [Thesis]. University of Georgia; 2014. [cited 2021 Apr 18]. Available from: http://hdl.handle.net/10724/23266.

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

Council of Science Editors:

Turney JM. Applications of coupled cluster theory on AI, Li, N, and O-containing small molecules. [Thesis]. University of Georgia; 2014. Available from: http://hdl.handle.net/10724/23266

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

19. João Paulo Gobbo. Estudo teórico de monocarbetos de metais de transição: MnC e CoC.

Degree: 2006, University of São Paulo

Neste trabalho, métodos ab initio multiconfiguracionais de alto nível foram empregados para estudar as estruturas eletrônicas e as ligações químicas de vários estados eletrônicos de… (more)

Subjects/Keywords: metais de transição; métodos ab initio multiconfiguracionais; multireference ab initio methods; transition metals

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APA (6th Edition):

Gobbo, J. P. (2006). Estudo teórico de monocarbetos de metais de transição: MnC e CoC. (Masters Thesis). University of São Paulo. Retrieved from http://www.teses.usp.br/teses/disponiveis/46/46132/tde-20092006-131517/

Chicago Manual of Style (16th Edition):

Gobbo, João Paulo. “Estudo teórico de monocarbetos de metais de transição: MnC e CoC.” 2006. Masters Thesis, University of São Paulo. Accessed April 18, 2021. http://www.teses.usp.br/teses/disponiveis/46/46132/tde-20092006-131517/.

MLA Handbook (7th Edition):

Gobbo, João Paulo. “Estudo teórico de monocarbetos de metais de transição: MnC e CoC.” 2006. Web. 18 Apr 2021.

Vancouver:

Gobbo JP. Estudo teórico de monocarbetos de metais de transição: MnC e CoC. [Internet] [Masters thesis]. University of São Paulo; 2006. [cited 2021 Apr 18]. Available from: http://www.teses.usp.br/teses/disponiveis/46/46132/tde-20092006-131517/.

Council of Science Editors:

Gobbo JP. Estudo teórico de monocarbetos de metais de transição: MnC e CoC. [Masters Thesis]. University of São Paulo; 2006. Available from: http://www.teses.usp.br/teses/disponiveis/46/46132/tde-20092006-131517/


University of Georgia

20. Wu, Chia-Hua. Exploring chemical reaction mechanisms via high accuracy ab initio quantum chemistry.

Degree: 2014, University of Georgia

 The mechanisms and properties of SN2 halide identity exchange, radical-radical abstraction reactions and hydroxycarbene tunneling reactions are investigated via high accuracy quantum mechanical computations. The… (more)

Subjects/Keywords: computational chemistry; basis set extrapolation; focal point analysis; physical organic chemistry; SN2 reaction; electrostatic interactions; π-conjugative effect; combustion chemistry; radical-radical interactions; multireference coupled cluster theory (Mk-MRCC); quantum tunneling effect; hydroxycarbenes

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APA (6th Edition):

Wu, C. (2014). Exploring chemical reaction mechanisms via high accuracy ab initio quantum chemistry. (Thesis). University of Georgia. Retrieved from http://hdl.handle.net/10724/30810

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):

Wu, Chia-Hua. “Exploring chemical reaction mechanisms via high accuracy ab initio quantum chemistry.” 2014. Thesis, University of Georgia. Accessed April 18, 2021. http://hdl.handle.net/10724/30810.

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

MLA Handbook (7th Edition):

Wu, Chia-Hua. “Exploring chemical reaction mechanisms via high accuracy ab initio quantum chemistry.” 2014. Web. 18 Apr 2021.

Vancouver:

Wu C. Exploring chemical reaction mechanisms via high accuracy ab initio quantum chemistry. [Internet] [Thesis]. University of Georgia; 2014. [cited 2021 Apr 18]. Available from: http://hdl.handle.net/10724/30810.

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

Council of Science Editors:

Wu C. Exploring chemical reaction mechanisms via high accuracy ab initio quantum chemistry. [Thesis]. University of Georgia; 2014. Available from: http://hdl.handle.net/10724/30810

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


Université Montpellier II

21. Mahmoud, Salman. Étude théorique des molécules diatomiques BN, SiN et LaH, structure électronique et spectroscopie : Theoretical study of diatomic molecules BN, SiN and LaH, electronic structure and spectroscopy.

Degree: Docteur es, Chimie et physicochimie des matériaux, 2014, Université Montpellier II

Une étude théorique ab initio des structures électroniques des molécules Diatomiques polaires BN, SiN et LaH dans la représentation 2s+1Λ(+/-)Ont été effectués par la méthode… (more)

Subjects/Keywords: Molécules diatomiques; Calculs Ab initio; Configuration Interaction Multiréférence; Constants Spectroscopique; Moment électrique dipolaire de l’electron; Spin Orbite-Effets; Diatomic molecules; Ab initio Calculations; Multireference Configuration Interaction; Spectroscopic Constants; Electric Dipole Moment of the electron; Spin-Orbit effects

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APA (6th Edition):

Mahmoud, S. (2014). Étude théorique des molécules diatomiques BN, SiN et LaH, structure électronique et spectroscopie : Theoretical study of diatomic molecules BN, SiN and LaH, electronic structure and spectroscopy. (Doctoral Dissertation). Université Montpellier II. Retrieved from http://www.theses.fr/2014MON20080

Chicago Manual of Style (16th Edition):

Mahmoud, Salman. “Étude théorique des molécules diatomiques BN, SiN et LaH, structure électronique et spectroscopie : Theoretical study of diatomic molecules BN, SiN and LaH, electronic structure and spectroscopy.” 2014. Doctoral Dissertation, Université Montpellier II. Accessed April 18, 2021. http://www.theses.fr/2014MON20080.

MLA Handbook (7th Edition):

Mahmoud, Salman. “Étude théorique des molécules diatomiques BN, SiN et LaH, structure électronique et spectroscopie : Theoretical study of diatomic molecules BN, SiN and LaH, electronic structure and spectroscopy.” 2014. Web. 18 Apr 2021.

Vancouver:

Mahmoud S. Étude théorique des molécules diatomiques BN, SiN et LaH, structure électronique et spectroscopie : Theoretical study of diatomic molecules BN, SiN and LaH, electronic structure and spectroscopy. [Internet] [Doctoral dissertation]. Université Montpellier II; 2014. [cited 2021 Apr 18]. Available from: http://www.theses.fr/2014MON20080.

Council of Science Editors:

Mahmoud S. Étude théorique des molécules diatomiques BN, SiN et LaH, structure électronique et spectroscopie : Theoretical study of diatomic molecules BN, SiN and LaH, electronic structure and spectroscopy. [Doctoral Dissertation]. Université Montpellier II; 2014. Available from: http://www.theses.fr/2014MON20080


University of North Texas

22. Dinescu, Adriana. Metals in Chemistry and Biology: Computational Chemistry Studies.

Degree: 2007, University of North Texas

 Numerous enzymatic reactions are controlled by the chemistry of metallic ions. This dissertation investigates the electronic properties of three transition metal (copper, chromium, and nickel)… (more)

Subjects/Keywords: Quantum chemistry; density functional theory; multireference methods; molecular mechanics; molecular dynamics; Transition metals.; Glutathione.; Enzymes.; Metal ions.

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APA (6th Edition):

Dinescu, A. (2007). Metals in Chemistry and Biology: Computational Chemistry Studies. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc3678/

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):

Dinescu, Adriana. “Metals in Chemistry and Biology: Computational Chemistry Studies.” 2007. Thesis, University of North Texas. Accessed April 18, 2021. https://digital.library.unt.edu/ark:/67531/metadc3678/.

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

MLA Handbook (7th Edition):

Dinescu, Adriana. “Metals in Chemistry and Biology: Computational Chemistry Studies.” 2007. Web. 18 Apr 2021.

Vancouver:

Dinescu A. Metals in Chemistry and Biology: Computational Chemistry Studies. [Internet] [Thesis]. University of North Texas; 2007. [cited 2021 Apr 18]. Available from: https://digital.library.unt.edu/ark:/67531/metadc3678/.

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

Council of Science Editors:

Dinescu A. Metals in Chemistry and Biology: Computational Chemistry Studies. [Thesis]. University of North Texas; 2007. Available from: https://digital.library.unt.edu/ark:/67531/metadc3678/

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

23. Antonio Carlos Borin. Aplicações do método interação de configuraçäes ao estudo de espectroscopia eletrônica, fotoeletrônica e ressonância quadrupolar nuclear.

Degree: 1993, University of São Paulo

Esta tese tem como objetivo central a descrição teórica rigorosa da estrutura, de propriedades e da espectroscopia de alguns sistemas diatômicos. Como abordagem de cálculo… (more)

Subjects/Keywords: Espectroscopia eletrônica; Espectroscopia fotoeletrônica; Físico-química; Método interação de configurações; Métodos ab initio; Ab initio method; Electronic spectroscopy; Multireference configuration interaction; Photoelectronic spectroscopy; Physical chemistry

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APA (6th Edition):

Borin, A. C. (1993). Aplicações do método interação de configuraçäes ao estudo de espectroscopia eletrônica, fotoeletrônica e ressonância quadrupolar nuclear. (Doctoral Dissertation). University of São Paulo. Retrieved from http://www.teses.usp.br/teses/disponiveis/46/46132/tde-04072012-090245/

Chicago Manual of Style (16th Edition):

Borin, Antonio Carlos. “Aplicações do método interação de configuraçäes ao estudo de espectroscopia eletrônica, fotoeletrônica e ressonância quadrupolar nuclear.” 1993. Doctoral Dissertation, University of São Paulo. Accessed April 18, 2021. http://www.teses.usp.br/teses/disponiveis/46/46132/tde-04072012-090245/.

MLA Handbook (7th Edition):

Borin, Antonio Carlos. “Aplicações do método interação de configuraçäes ao estudo de espectroscopia eletrônica, fotoeletrônica e ressonância quadrupolar nuclear.” 1993. Web. 18 Apr 2021.

Vancouver:

Borin AC. Aplicações do método interação de configuraçäes ao estudo de espectroscopia eletrônica, fotoeletrônica e ressonância quadrupolar nuclear. [Internet] [Doctoral dissertation]. University of São Paulo; 1993. [cited 2021 Apr 18]. Available from: http://www.teses.usp.br/teses/disponiveis/46/46132/tde-04072012-090245/.

Council of Science Editors:

Borin AC. Aplicações do método interação de configuraçäes ao estudo de espectroscopia eletrônica, fotoeletrônica e ressonância quadrupolar nuclear. [Doctoral Dissertation]. University of São Paulo; 1993. Available from: http://www.teses.usp.br/teses/disponiveis/46/46132/tde-04072012-090245/

24. Κούκουνας, Κωνσταντίνος. Ab initio διερεύνησις της ηλεκτρονιακής δομής των διατομικών μεταλλο-φθοριδίων MF, M=Fe, Co, Ni, και Cu.

Degree: 2007, National and Kapodistrian University of Athens; Εθνικό και Καποδιστριακό Πανεπιστήμιο Αθηνών (ΕΚΠΑ)

The present dissertation deals with the theoretical investigation of the electronic structure of the first row transition metal diatomic fluorides MF, M = Fe, Co,… (more)

Subjects/Keywords: Υπολογισμοί πρώτων αρχών; Διατομικά μεταλλο-φθορίδια; Καμπύλες δυναμικής ενέργειας; Σύνολο βάσεων; Ab initio; Diatomic transition metal fluorides; Potential energy curves; Quantitative basis sets; Multireference configuration interaction; Coupled cluster

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

APA (6th Edition):

Κούκουνας, . . (2007). Ab initio διερεύνησις της ηλεκτρονιακής δομής των διατομικών μεταλλο-φθοριδίων MF, M=Fe, Co, Ni, και Cu. (Thesis). National and Kapodistrian University of Athens; Εθνικό και Καποδιστριακό Πανεπιστήμιο Αθηνών (ΕΚΠΑ). Retrieved from http://hdl.handle.net/10442/hedi/18569

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):

Κούκουνας, Κωνσταντίνος. “Ab initio διερεύνησις της ηλεκτρονιακής δομής των διατομικών μεταλλο-φθοριδίων MF, M=Fe, Co, Ni, και Cu.” 2007. Thesis, National and Kapodistrian University of Athens; Εθνικό και Καποδιστριακό Πανεπιστήμιο Αθηνών (ΕΚΠΑ). Accessed April 18, 2021. http://hdl.handle.net/10442/hedi/18569.

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

MLA Handbook (7th Edition):

Κούκουνας, Κωνσταντίνος. “Ab initio διερεύνησις της ηλεκτρονιακής δομής των διατομικών μεταλλο-φθοριδίων MF, M=Fe, Co, Ni, και Cu.” 2007. Web. 18 Apr 2021.

Vancouver:

Κούκουνας . Ab initio διερεύνησις της ηλεκτρονιακής δομής των διατομικών μεταλλο-φθοριδίων MF, M=Fe, Co, Ni, και Cu. [Internet] [Thesis]. National and Kapodistrian University of Athens; Εθνικό και Καποδιστριακό Πανεπιστήμιο Αθηνών (ΕΚΠΑ); 2007. [cited 2021 Apr 18]. Available from: http://hdl.handle.net/10442/hedi/18569.

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

Council of Science Editors:

Κούκουνας . Ab initio διερεύνησις της ηλεκτρονιακής δομής των διατομικών μεταλλο-φθοριδίων MF, M=Fe, Co, Ni, και Cu. [Thesis]. National and Kapodistrian University of Athens; Εθνικό και Καποδιστριακό Πανεπιστήμιο Αθηνών (ΕΚΠΑ); 2007. Available from: http://hdl.handle.net/10442/hedi/18569

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

25. Κερκινές-Κεραμηδάς, Ιωάννης-Σώζων. {Ι.} Θεωρητική μελέτη των μεταλλοκαρβιδίων TiC+, VC+ και CrC+. ΙΙ. Η φύση του χημικού δεσμού του κατιόντος N5+ και συγγενών συστημάτων.

Degree: 2003, National and Kapodistrian University of Athens; Εθνικό και Καποδιστριακό Πανεπιστήμιο Αθηνών (ΕΚΠΑ)

The present Thesis deals with the high-level theoretical study of several small molecular systems with the help of Quantum Mechanics. Two categories of molecules were… (more)

Subjects/Keywords: Θεωρητικοί υπολογισμοί; Κβαντική χημεία; Μεταλλοκαρβίδια; Πολυζωτούχες ενώσεις; Χημεία ευγενών αερίων; Καμπύλες δυναμικής ενέργειας; Ιστορία κβαντικής χημείας; Μέταλλα μετάπτωσης; AB initio calculations; Multireference configuration interaction; Potential energy curves; HEDM; Quantum chemistry; Polynitrocen compounds; Transition metal carbides; Noble gas chemistry

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APA (6th Edition):

Κερκινές-Κεραμηδάς, . . (2003). {Ι.} Θεωρητική μελέτη των μεταλλοκαρβιδίων TiC+, VC+ και CrC+. ΙΙ. Η φύση του χημικού δεσμού του κατιόντος N5+ και συγγενών συστημάτων. (Thesis). National and Kapodistrian University of Athens; Εθνικό και Καποδιστριακό Πανεπιστήμιο Αθηνών (ΕΚΠΑ). Retrieved from http://hdl.handle.net/10442/hedi/22370

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):

Κερκινές-Κεραμηδάς, Ιωάννης-Σώζων. “{Ι.} Θεωρητική μελέτη των μεταλλοκαρβιδίων TiC+, VC+ και CrC+. ΙΙ. Η φύση του χημικού δεσμού του κατιόντος N5+ και συγγενών συστημάτων.” 2003. Thesis, National and Kapodistrian University of Athens; Εθνικό και Καποδιστριακό Πανεπιστήμιο Αθηνών (ΕΚΠΑ). Accessed April 18, 2021. http://hdl.handle.net/10442/hedi/22370.

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

MLA Handbook (7th Edition):

Κερκινές-Κεραμηδάς, Ιωάννης-Σώζων. “{Ι.} Θεωρητική μελέτη των μεταλλοκαρβιδίων TiC+, VC+ και CrC+. ΙΙ. Η φύση του χημικού δεσμού του κατιόντος N5+ και συγγενών συστημάτων.” 2003. Web. 18 Apr 2021.

Vancouver:

Κερκινές-Κεραμηδάς . {Ι.} Θεωρητική μελέτη των μεταλλοκαρβιδίων TiC+, VC+ και CrC+. ΙΙ. Η φύση του χημικού δεσμού του κατιόντος N5+ και συγγενών συστημάτων. [Internet] [Thesis]. National and Kapodistrian University of Athens; Εθνικό και Καποδιστριακό Πανεπιστήμιο Αθηνών (ΕΚΠΑ); 2003. [cited 2021 Apr 18]. Available from: http://hdl.handle.net/10442/hedi/22370.

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

Council of Science Editors:

Κερκινές-Κεραμηδάς . {Ι.} Θεωρητική μελέτη των μεταλλοκαρβιδίων TiC+, VC+ και CrC+. ΙΙ. Η φύση του χημικού δεσμού του κατιόντος N5+ και συγγενών συστημάτων. [Thesis]. National and Kapodistrian University of Athens; Εθνικό και Καποδιστριακό Πανεπιστήμιο Αθηνών (ΕΚΠΑ); 2003. Available from: http://hdl.handle.net/10442/hedi/22370

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

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