In-vitro materials design : (Record no. 65529)
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| 000 -LEADER | |
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| fixed length control field | 06525cam a2200637Ii 4500 |
| 001 - CONTROL NUMBER | |
| control field | sulb-eb0033877 |
| 003 - CONTROL NUMBER IDENTIFIER | |
| control field | BD-SySUS |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20170713221421.0 |
| 006 - FIXED-LENGTH DATA ELEMENTS--ADDITIONAL MATERIAL CHARACTERISTICS | |
| fixed length control field | m o d |
| 007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION | |
| fixed length control field | cr cnu|||unuuu |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 150511s2015 gw ob 001 0 eng d |
| 040 ## - CATALOGING SOURCE | |
| Original cataloging agency | N$T |
| Language of cataloging | eng |
| Description conventions | rda |
| -- | pn |
| Transcribing agency | N$T |
| Modifying agency | N$T |
| -- | IDEBK |
| -- | DG1 |
| -- | RECBK |
| -- | CDX |
| -- | COO |
| -- | VRC |
| -- | UPM |
| -- | DEBSZ |
| -- | DEBBG |
| -- | BD-SySUS |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9783527667352 |
| Qualifying information | electronic bk. |
| International Standard Book Number | 3527667350 |
| Qualifying information | electronic bk. |
| International Standard Book Number | 9783527667383 |
| Qualifying information | electronic bk. |
| International Standard Book Number | 3527667385 |
| Qualifying information | electronic bk. |
| Canceled/invalid ISBN | 9783527334230 |
| International Standard Book Number | 3527334238 |
| International Standard Book Number | 9783527334230 |
| 029 1# - OTHER SYSTEM CONTROL NUMBER (OCLC) | |
| OCLC library identifier | AU@ |
| System control number | 000055511298 |
| OCLC library identifier | DEBSZ |
| System control number | 453343805 |
| OCLC library identifier | DEBBG |
| System control number | BV042991527 |
| OCLC library identifier | DEBBG |
| System control number | BV043397778 |
| 035 ## - SYSTEM CONTROL NUMBER | |
| System control number | (OCoLC)908685727 |
| 050 #4 - LIBRARY OF CONGRESS CALL NUMBER | |
| Classification number | TA403 |
| 072 #7 - SUBJECT CATEGORY CODE | |
| Subject category code | TEC |
| Subject category code subdivision | 009000 |
| Source | bisacsh |
| Subject category code | TEC |
| Subject category code subdivision | 035000 |
| Source | bisacsh |
| 082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER | |
| Classification number | 620.1/1 |
| Edition number | 23 |
| 049 ## - LOCAL HOLDINGS (OCLC) | |
| Holding library | MAIN |
| 100 1# - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Leitsmann, Roman, |
| Relator term | author. |
| 245 10 - TITLE STATEMENT | |
| Title | In-vitro materials design : |
| Remainder of title | modern atomistic simulation methods for engineers / |
| Statement of responsibility, etc. | Roman Leitsmann, Philipp Plänitz, and Michael Schreiber. |
| 264 #1 - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE | |
| Place of production, publication, distribution, manufacture | Weinheim, Germany : |
| Name of producer, publisher, distributor, manufacturer | Wiley-VCH, |
| Date of production, publication, distribution, manufacture, or copyright notice | [2015] |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | 1 online resource. |
| 336 ## - CONTENT TYPE | |
| Content type term | text |
| Content type code | txt |
| Source | rdacontent |
| 337 ## - MEDIA TYPE | |
| Media type term | computer |
| Media type code | c |
| Source | rdamedia |
| 338 ## - CARRIER TYPE | |
| Carrier type term | online resource |
| Carrier type code | cr |
| Source | rdacarrier |
| 504 ## - BIBLIOGRAPHY, ETC. NOTE | |
| Bibliography, etc | Includes bibliographical references and index. |
| 588 0# - SOURCE OF DESCRIPTION NOTE | |
| Source of description note | Vendor-supplied metadata. |
| 505 0# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | Machine generated contents note: pt. I Basic Physical and Mathematical Principles -- 1.Introduction -- 2.Newtonian Mechanics and Thermodynamics -- 2.1.Equation of Motion -- 2.2.Energy Conservation -- 2.3.Many Body Systems -- 2.4.Thermodynamics -- 3.Operators and Fourier Transformations -- 3.1.Complex Numbers -- 3.2.Operators -- 3.3.Fourier Transformation -- 4.Quantum Mechanical Concepts -- 4.1.Heuristic Derivation -- 4.2.Stationary Schrodinger Equation -- 4.3.Expectation Value and Uncertainty Principle -- 5.Chemical Properties and Quantum Theory -- 5.1.Atomic Model -- 5.2.Molecular Orbital Theory -- 6.Crystal Symmetry and Bravais Lattice -- 6.1.Symmetry in Nature -- 6.2.Symmetry in Molecules -- 6.3.Symmetry in Crystals -- 6.4.Bloch Theorem and Band Structure -- pt. II Computational Methods -- 7.Introduction -- 8.Classical Simulation Methods -- 8.1.Molecular Mechanics -- 8.2.Simple Force-Field Approach -- 8.3.Reactive Force-Field Approach -- 9.Quantum Mechanical Simulation Methods -- 9.1.Born -- Oppenheimer Approximation and Pseudopotentials -- 9.2.Hartree -- Fock Method -- 9.3.Density Functional Theory -- 9.4.Meaning of the Single-Electron Energies within DFT and HF -- 9.5.Approximations for the Exchange -- Correlation Functional Exc -- 9.5.1.Local Density Approximation -- 9.5.2.Generalized Gradient Approximation -- 9.5.3.Hybrid Functionals -- 9.6.Wave Function Representations -- 9.6.1.Real-Space Representation -- 9.6.2.Plane Wave Representation -- 9.6.3.Local Basis Sets -- 9.6.4.Combined Basis Sets -- 9.7.Concepts Beyond HF and DFT -- 9.7.1.Quasiparticle Shift and the GW Approximation -- 9.7.2.Scissors Shift -- 9.7.3.Excitonic Effects -- 9.7.4.TDDFT -- 9.7.5.Post-Hartree -- Fock Methods -- 9.7.5.1.Configuration Interaction (CI) -- 9.7.5.2.Coupled Cluster (CC) -- 9.7.5.3.Møller -- Plesset Perturbation Theory (MPn) -- 10.Multiscale Approaches -- 10.1.Coarse-Grained Approaches -- 10.2.QM/MM Approaches -- 11.Chemical Reactions -- 11.1.Transition State Theory -- 11.2.Nudged Elastic Band Method -- pt. III Industrial Applications -- 12.Introduction -- 13.Microelectronic CMOS Technology -- 13.1.Introduction -- 13.2.Work Function Tunability in High-K Gate Stacks -- 13.2.1.Concrete Problem and Goal -- 13.2.2.Simulation Approach -- 13.2.3.Modeling of the Bulk Materials -- 13.2.4.Construction of the HKMG Stack Model -- 13.2.5.Calculation of the Band Alignment -- 13.2.6.Simulation Results and Practical Impact -- 13.3.Influence of Defect States in High-K Gate Stacks -- 13.3.1.Concrete Problem and Goal -- 13.3.2.Simulation Approach and Model System -- 13.3.3.Calculation of the Charge Transition Level -- 13.3.4.Simulation Results and Practical Impact -- 13.4.Ultra-Low-K Materials in the Back-End-of-Line -- 13.4.1.Concrete Problem and Goal -- 13.4.2.Simulation Approach -- 13.4.3.The Silylation Process: Preliminary Considerations -- 13.4.4.Simulation Results and Practical Impact -- 14.Modeling of Chemical Processes -- 14.1.Introduction -- 14.2.GaN Crystal Growth -- 14.2.1.Concrete Problem and Goal -- 14.2.2.Simulation Approach -- 14.2.3.ReaxFF Parameter Training Scheme -- 14.2.4.Set of Training Structures: ab initio Modeling -- 14.2.5.Model System for the Growth Simulations -- 14.2.6.Results and Practical Impact -- 14.3.Intercalation of Ions into Cathode Materials -- 14.3.1.Concrete Problem and Goal -- 14.3.2.Simulation Approach -- 14.3.3.Calculation of the Cell Voltage -- 14.3.4.Obtained Structural Properties of Lix V2 O5 -- 14.3.5.Results for the Cell Voltage -- 15.Properties of Nanostructured Materials -- 15.1.Introduction -- 15.2.Embedded PbTe Quantum Dots -- 15.2.1.Concrete Problem and Goal -- 15.2.2.Simulation Approach -- 15.2.3.Equilibrium Crystal Shape and Wulff Construction -- 15.2.4.Modeling of the Embedded PbTe Quantum Dots -- 15.2.5.Obtained Structural Properties -- 15.2.6.Internal Electric Fields and the Quantum Confined Stark Effect -- 15.3.Nanomagnetism -- 15.3.1.Concrete Problem and Goal -- 15.3.2.Construction of the Silicon Quantum Dots -- 15.3.3.Ab initio Simulation Approach -- 15.3.4.Calculation of the Formation Energy -- 15.3.5.Resulting Stability Properties -- 15.3.6.Obtained Magnetic Properties. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Materials science. |
| Topical term or geographic name as entry element | Materials |
| General subdivision | Design. |
| Topical term or geographic name as entry element | Materials |
| General subdivision | Simulation methods. |
| Topical term or geographic name as entry element | Materials |
| General subdivision | Models. |
| Topical term or geographic name as entry element | TECHNOLOGY & ENGINEERING / Engineering (General) |
| Source of heading or term | bisacsh |
| Topical term or geographic name as entry element | TECHNOLOGY & ENGINEERING / Reference |
| Source of heading or term | bisacsh |
| 655 #4 - INDEX TERM--GENRE/FORM | |
| Genre/form data or focus term | Electronic books. |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Planitz, Philipp, |
| Relator term | author. |
| Personal name | Schreiber, Michael, |
| Dates associated with a name | 1954- |
| Relator term | author. |
| 776 08 - ADDITIONAL PHYSICAL FORM ENTRY | |
| Relationship information | Erscheint auch als: |
| Main entry heading | Leitsmann, Roman, 1979 |
| Title | In-vitro materials design |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | <a href="http://onlinelibrary.wiley.com/book/10.1002/9783527667352">http://onlinelibrary.wiley.com/book/10.1002/9783527667352</a> |
| Public note | Wiley Online Library [Free Download only for SUST IP] |
| 938 ## - | |
| -- | EBSCOhost |
| -- | EBSC |
| -- | 989633 |
| -- | Ingram Digital eBook Collection |
| -- | IDEB |
| -- | cis31556513 |
| -- | Recorded Books, LLC |
| -- | RECE |
| -- | rbeEB00612344 |
| -- | Coutts Information Services |
| -- | COUT |
| -- | 31556513 |
| 994 ## - | |
| -- | 92 |
| -- | DG1 |
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