• Refine Query
  • Source
  • Publication year
  • to
  • Language
  • 21
  • 1
  • 1
  • 1
  • Tagged with
  • 25
  • 25
  • 25
  • 10
  • 8
  • 6
  • 5
  • 5
  • 5
  • 4
  • 4
  • 4
  • 4
  • 3
  • 3
  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
1

Theoretical investigation of cisplatin-deoxyribonucleic acid crosslink products.

January 2004 (has links)
Fu Annie Yuen Yee. / Thesis (M.Phil.)--Chinese University of Hong Kong, 2004. / Includes bibliographical references (leaves 97-108). / Abstracts in English and Chinese. / ABSTRACT (ENGLISH) --- p.iii / ABSTRACT (CHINESE) --- p.iv / ACKNOWLEDGMENTS --- p.v / TABLE OF CONTENTS --- p.vi / LIST OF FIGURES --- p.ix / LIST OF TABLES --- p.xi / Chapter CHAPTER ONE: --- BACKGROUND INFORMATION --- p.1 / Chapter 1.1 --- Introduction --- p.1 / Chapter 1.2 --- Deoxyribonucleic Acid --- p.1 / Chapter 1.2.1 --- Nomenclature and Symbols --- p.1 / Chapter 1.2.2 --- Torsion Angles --- p.4 / Chapter 1.2.3 --- Conformation --- p.5 / Chapter 1.3 --- DNA Studies --- p.8 / Chapter 1.3.1 --- Base --- p.8 / Chapter 1.3.2 --- Base-Pair --- p.10 / Chapter 1.3.3 --- Summary --- p.11 / Chapter 1.4 --- Cisplatin Studies --- p.11 / Chapter 1.4.1 --- Reaction --- p.12 / Chapter 1.4.2 --- Cisplatin-DNA Products --- p.14 / Chapter 1.4.3 --- Summary --- p.15 / Chapter 1.5 --- Scope of This Thesis --- p.15 / Chapter CHAPTER TWO: --- COMPUTATION AND METHODOLOY --- p.17 / Chapter 2.1 --- Introduction --- p.17 / Chapter 2.2 --- Hartree-Fock Approximation --- p.17 / Chapter 2.3 --- Geometry Optimization --- p.18 / Chapter 2.4 --- Molecular Orbital (MO) Calculation --- p.20 / Chapter 2.5 --- Verification of Methodology --- p.20 / Chapter 2.5.1 --- Backbone Torsion Angles --- p.20 / Chapter 2.5.2 --- N7-N7 Distance --- p.26 / Chapter 2.5.3 --- Location of HOMO --- p.30 / Chapter 2.6 --- Summary --- p.31 / Chapter CHAPTER THREE: --- UNDERSTANDING OF THE CISPLATIN-DNA CROSSLINKS --- p.33 / Chapter 3.1 --- Introduction --- p.33 / Chapter 3.2 --- MO Analysis --- p.33 / Chapter 3.3 --- Potential Binding Sites of DNA --- p.34 / Chapter 3.3.1 --- "1,2-d(GpG) Intrastrand Crosslink" --- p.40 / Chapter 3.3.2 --- "l,2-d(ApG) Intrastrand Crosslink" --- p.40 / Chapter 3.3.3 --- "l,3-d(GpXpG) Intrastrand Crosslink" --- p.41 / Chapter 3.3.4 --- d(GpC)d(GpC) Interstrand Crosslink --- p.41 / Chapter 3.3.5 --- d(GpXpC)d(GpXpC) Interstrand Crosslink --- p.41 / Chapter 3.3.6 --- Summary --- p.42 / Chapter 3.4 --- Empirical Selection Rule --- p.44 / Chapter 3.4.1 --- Convention --- p.44 / Chapter 3.4.2 --- Selection of Potential HOMO Location (or Active Site) --- p.45 / Chapter 3.4.3 --- Selection of Potential HOMO-Nearby Active Site --- p.47 / Chapter 3.4.4 --- Applications --- p.48 / Chapter 3.5 --- Cisplatin --- p.51 / Chapter 3.6 --- Cisplatin-DNA Crosslinks --- p.52 / Chapter 3.6.1 --- "l,2-d(GpG) and l,2-d(ApG) Intrastrand Crosslinks" --- p.52 / Chapter 3.6.2 --- "l,2-d(ApG) versus l,2-d(GpA) Intrastrand Crosslinks" --- p.53 / Chapter 3.6.3 --- "l,3-d(GpXpG) Intrastrand and d(GpXpC)d(GpXpC) Interstrand Crosslinks" --- p.54 / Chapter 3.6.4 --- Platination at Terminal Positions --- p.55 / Chapter 3.7 --- Structural Parameters --- p.59 / Chapter 3.7.1 --- Optimized Geometries --- p.59 / Chapter 3.7.2 --- DNA Sequences from PDB --- p.67 / Chapter 3.7.3 --- Backbone Torsion Angles --- p.70 / Chapter 3.8 --- Summary --- p.70 / Chapter CHAPTER FOUR: --- CONCLUDING REMARKS --- p.72 / APPENDIX I BACKBONE TORSION ANGLES AND SUGAR RING CONFORMATION OF THE OPTIMIZED GEOMETRIES --- p.74 / APPENDIX II BACKBONE TORSION ANGLES OF THE EXPERIMENTAL SEQUENCES FROM NUCLEIC ACID DATABASE (NDB) --- p.82 / REFERENCES --- p.97
2

A projected Hamiltonian approach to polyatomic systems

Smith, Jack A, January 1978 (has links)
Thesis--University of Florida. / Description based on print version record. Typescript. Vita. Includes bibliographical references (leaves 111-114).
3

Hartree-Fock electronic structure calculations for free atoms and immersed atoms in an electron gas /

Walsh, Kenneth Charles. January 1900 (has links)
Thesis (Ph. D.)--Oregon State University, 2010. / Printout. Includes bibliographical references (leaves 103-104). Also available on the World Wide Web.
4

Functional integration applied to the nuclear many body-problem

Troudet, Thierry. January 1982 (has links)
Thesis (Ph.D.)--Massachusetts Institute of Technology, Dept. of Physics, 1982. / Includes bibliographical references. / by Thierry Troudet. / Thesis (Ph.D.)--Massachusetts Institute of Technology, Dept. of Physics, 1982.
5

Light scattering in dielectric disk arrays and atomic scattering by helium.

Schaudt, Kimberly Jean. January 1992 (has links)
The exact scalar wave solution for light scattering from a general dielectric disk array is found. The exact solution as well as a numerical solution is also given for an array of three dielectric disks, whose centers are placed on the vertices of an equilateral triangle. The various (differential, total and averaged total) cross sections and the poles of the scattering matrix are given. These results are analyzed in part by considering the effects which arise from the geometry of the system, and in part by comparison with the results (cross sections and poles) for a system with an identical arrangement of three hard (perfectly conducting) disks and with a system of one dielectric disk. This analysis helps rule out structure that arise from the chaos, which is very likely to exist, in the classical (geometric) limit of the three (or more) dielectric disk system. In the future after I study the geometric (classical) and physics (semiclassical) regimes of this system, I plan to reanalyse the exact wave solution in an attempt to discover the traces of the chaos present in the system. Time dependent Hartree-Fock theory (TDHF), with improved formulation and improved computer capabilities, is used to repeat the calculations of charge capture for the He²⁺ on He collision. The results of these calculations allow us to discuss the effects of various numerical truncations and to establish with certainty the viability and the accuracy of TDHF in its application to ion-atom collisions. Initially, we had hoped to find chaos in the TDHF problem, as it is nonlinear. However, due to the complexity and computational difficulties present in the TDHF problem, a simpler scattering system of light scattering from dielectric disk arrays was chosen for study.
6

Hydrodynamic approximation to time-dependent Hartree-Bogolyubov.

Barezi, Mehdi January 1979 (has links)
Thesis (Ph.D.)--Massachusetts Institute of Technology, Dept. of Physics, 1979. / MICROFICHE COPY AVAILABLE IN ARCHIVES AND SCIENCE. / Includes bibliographical references. / Ph.D.
7

Hartree-Fock-Bogoliubov calculations for nuclei far from stability

Teran Balbuena, Edgar. January 2003 (has links)
Thesis (Ph. D. in Physics)--Vanderbilt University, 2003. / Title from PDF title screen. Includes bibliographical references.
8

Theory of the two-dimensional airy electron gas Hartee-Fock and density-functional studies /

Thulasi, Sunita, January 2006 (has links)
Thesis (Ph. D.)--University of Missouri-Columbia, 2006. / The entire dissertation/thesis text is included in the research.pdf file; the official abstract appears in the short.pdf file (which also appears in the research.pdf); a non-technical general description, or public abstract, appears in the public.pdf file. Title from title screen of research.pdf file viewed on (May 17, 2007) Vita. n following parenthesis in formula (LaTiO₃) should be subscript. Includes bibliographical references.
9

Hydrodynamic approximations to time-dependent Hartree-Fock

Koonin, Steven E January 1975 (has links)
Thesis. 1975. Ph.D.--Massachusetts Institute of Technology. Dept. of Physics. / Vita. / Includes bibliographical references. / by Steven E. Koonin. / Ph.D.
10

Hatree-Fock (HF) ve Yoğunluk Fonksiyon Teori (DFT) metotlarıyla 2-, 3- ve 4- Triflorometilbenzaldehit moleküllerinin titreşimsel analizleri ve moleküler yapıları /

Sert, Yusuf. Ucun, Fatih. January 2008 (has links) (PDF)
Tez (Yüksek Lisans) - Süleyman Demirel Üniversitesi, Fen Bilimleri Enstitüsü, Fizik Anabilim Dalı, 2008. / Kaynakça var.

Page generated in 0.1367 seconds