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Structural Analysis and Modelling : Research and Development /
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Hauppauge, New York, NY :
Nova Science Publishers, Inc.,
[2013]
|
| Colección: | Engineering tools, techniques and tables.
|
| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- 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.