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Structural Analysis and Modelling : Research and Development / editor, Yucheng Liu (Assistant Professor, Department of Mechanical Engineering, College of Engineering, University of Louisiana, Lafayette, LA, USA).

Contributor(s): Material type: TextTextSeries: Engineering tools, techniques and tablesPublisher: Hauppauge, New York, NY : Nova Science Publishers, Inc., [2013]Copyright date: ©2013Description: 1 online resource (317 pages)Content type:
  • text
Media type:
  • computer
Carrier type:
  • online resource
ISBN:
  • 9781626186897
  • 1626186898
Subject(s): Genre/Form: Additional physical formats: Print version:: Structural analysis and modelling.DDC classification:
  • 624.1/7 23
LOC classification:
  • TA647 .S767 2013eb
Online resources:
Contents:
STRUCTURAL ANALYSIS AND MODELLING ; STRUCTURAL ANALYSIS AND MODELLING ; Library of Congress Cataloging-in-Publication Data ; Contents; Preface; Chapter 1 Structural and Vibrational Investigation on the 2-(4-Chlorophenyl) -4H-3,1-Benzoxazin-4-One Compound; Abstract; Introduction; Computational Details; Results and Discussion; Geometry Optimization; NPA Charges and NBO Studies; AIM Studies; Vibrational Analysis; Bands Assignments; Force Field; HOMO-LUMO Study; Conclusion; Acknowledgments; References.
Chapter 2 Experimental and Theoretical Investigation on L-Cysteine in Aqueous Medium: A Study Combining FTIR and Raman with Quantum Mechanical/Molecular Mechanics MethodsAbstract; Introduction; Experimental Methods; Computational Details; Results and Discussion; Geometry; AIM Study; Vibrational Analysis; Assignments; NH3 Modes; O-H and S-H Modes; COO Groups; CH2 Modes; Skeletal Modes; Anion Modes; Dimers Modes; Force Field; Conclusion; Acknowledgments; References; Chapter 3 A Comparative Structural and Vibrational Study on the Heterosubstituted N-Thiolated Beta Lactam Antibiotics Series.
AbstractIntroduction; Computational Methods; Results and Discussion; Structural Analysis; NBO Analysis; Topological Analysis; Vibrational Spectra; Band Assignments; Force Field; HOMO-LUMO Energy Gap; Conclusion; Acknowledgments; References; Chapter 4 Structure Analysis of Active Components of Traditional Chinese Medicines; Abstract; Abbreviations; 1. Introduction; 2. Experimental Methods of HPLC, MS and NMR; 3. Component Analysis of TCMs by HPLC-MS; 4. Component Analysis of TCMs by NMR; Conclusion; References; Chapter 5 Molecular Basis for Mechanical Functions of Molecular Motor Myosin.
Abstract1. Introduction; 2. Methods; 3. Results; Myosin-Actin Interactions; Primary Binding Site and the D-Loop; 50k/20k Loop; Cardiomyopathy Loops; 4. Discussion; Acknowledgments; References; Chapter 6 Semi-Analytic Solutions for Elastic-Plastic Thin Hollow Discs; Abstract; 1.Introduction; 2.StatementoftheProblem; 3.ElasticSolutionandtheInitiationofPlasticYielding; 3.1.Elasticsolution; 3.2.Yieldcriterion(6); 3.3.Yieldcriterion(9); 3.4.Yieldcriterion(11); 4.StressSolutionsandPlasticCollapse; 4.1.Yieldcriterion(6); 4.2.Yieldcriterion(9); 4.3.YieldCriterion(11); 5.Strainsolutions.
5.1.Yieldcriterion(6)5.2.YieldCriterion(9); 5.3.Yieldcriterion(11); 6.ResidualStressesandStrains; 7.Conclusion; Acknowledgment; References; Chapter 7 Numerical Solution to Contact Stresses Developed during the Spherical Indentation of Elastoplastic Solids; Abstract; 1. Introduction; 2. Analytical Solution to Contact Stress during Spherical Indentation; 3. Numerical Solution to Contact Stress During Spherical Indentation; 3.1. Finite Element Model for Indentation; 3.2. Spherical Indentation as a Boundary Value Problem; 3.3. Material Characteristics; 3.4. Contact Modelling.
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Text in English.

Includes index.

Print version record.

STRUCTURAL ANALYSIS AND MODELLING ; STRUCTURAL ANALYSIS AND MODELLING ; Library of Congress Cataloging-in-Publication Data ; Contents; Preface; Chapter 1 Structural and Vibrational Investigation on the 2-(4-Chlorophenyl) -4H-3,1-Benzoxazin-4-One Compound; Abstract; Introduction; Computational Details; Results and Discussion; Geometry Optimization; NPA Charges and NBO Studies; AIM Studies; Vibrational Analysis; Bands Assignments; Force Field; HOMO-LUMO Study; Conclusion; Acknowledgments; References.

Chapter 2 Experimental and Theoretical Investigation on L-Cysteine in Aqueous Medium: A Study Combining FTIR and Raman with Quantum Mechanical/Molecular Mechanics MethodsAbstract; Introduction; Experimental Methods; Computational Details; Results and Discussion; Geometry; AIM Study; Vibrational Analysis; Assignments; NH3 Modes; O-H and S-H Modes; COO Groups; CH2 Modes; Skeletal Modes; Anion Modes; Dimers Modes; Force Field; Conclusion; Acknowledgments; References; Chapter 3 A Comparative Structural and Vibrational Study on the Heterosubstituted N-Thiolated Beta Lactam Antibiotics Series.

AbstractIntroduction; Computational Methods; Results and Discussion; Structural Analysis; NBO Analysis; Topological Analysis; Vibrational Spectra; Band Assignments; Force Field; HOMO-LUMO Energy Gap; Conclusion; Acknowledgments; References; Chapter 4 Structure Analysis of Active Components of Traditional Chinese Medicines; Abstract; Abbreviations; 1. Introduction; 2. Experimental Methods of HPLC, MS and NMR; 3. Component Analysis of TCMs by HPLC-MS; 4. Component Analysis of TCMs by NMR; Conclusion; References; Chapter 5 Molecular Basis for Mechanical Functions of Molecular Motor Myosin.

Abstract1. Introduction; 2. Methods; 3. Results; Myosin-Actin Interactions; Primary Binding Site and the D-Loop; 50k/20k Loop; Cardiomyopathy Loops; 4. Discussion; Acknowledgments; References; Chapter 6 Semi-Analytic Solutions for Elastic-Plastic Thin Hollow Discs; Abstract; 1.Introduction; 2.StatementoftheProblem; 3.ElasticSolutionandtheInitiationofPlasticYielding; 3.1.Elasticsolution; 3.2.Yieldcriterion(6); 3.3.Yieldcriterion(9); 3.4.Yieldcriterion(11); 4.StressSolutionsandPlasticCollapse; 4.1.Yieldcriterion(6); 4.2.Yieldcriterion(9); 4.3.YieldCriterion(11); 5.Strainsolutions.

5.1.Yieldcriterion(6)5.2.YieldCriterion(9); 5.3.Yieldcriterion(11); 6.ResidualStressesandStrains; 7.Conclusion; Acknowledgment; References; Chapter 7 Numerical Solution to Contact Stresses Developed during the Spherical Indentation of Elastoplastic Solids; Abstract; 1. Introduction; 2. Analytical Solution to Contact Stress during Spherical Indentation; 3. Numerical Solution to Contact Stress During Spherical Indentation; 3.1. Finite Element Model for Indentation; 3.2. Spherical Indentation as a Boundary Value Problem; 3.3. Material Characteristics; 3.4. Contact Modelling.

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