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Energetic materials /
Annotation
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Kidlington, Oxford :
Academic Press,
2014.
|
| Edición: | First edition. |
| Colección: | Advances in quantum chemistry ;
v. 69. |
| Temas: | |
| Acceso en línea: | Texto completo Texto completo |
MARC
| LEADER | 00000cam a2200000Mi 4500 | ||
|---|---|---|---|
| 001 | SCIDIR_ocn874163907 | ||
| 003 | OCoLC | ||
| 005 | 20231120111544.0 | ||
| 006 | m o d | ||
| 007 | cr cn||||||||| | ||
| 008 | 140228s2014 enkad ob 001 0 eng d | ||
| 040 | |a E7B |b eng |e rda |e pn |c E7B |d OCLCO |d UIU |d N$T |d OCLCF |d OCLCQ |d DEBBG |d D6H |d OTZ |d IDEBK |d CDX |d REB |d AU@ |d WYU |d VT2 |d OCLCQ |d OCLCO |d OCLCQ |d OCLCO | ||
| 019 | |a 870894778 | ||
| 020 | |a 9780128004500 |q (electronic bk.) | ||
| 020 | |a 0128004509 |q (electronic bk.) | ||
| 020 | |a 1306448026 | ||
| 020 | |a 9781306448024 | ||
| 020 | |z 9780128003459 | ||
| 035 | |a (OCoLC)874163907 |z (OCoLC)870894778 | ||
| 050 | 4 | |a TP270 |b .E54 2014eb | |
| 072 | 7 | |a TEC |x 009010 |2 bisacsh | |
| 082 | 0 | 4 | |a 662.2 |
| 245 | 0 | 0 | |a Energetic materials / |c edited by John R. Sabin, Quantum Theory Project, University of Florida, Gainesville, Florida. |
| 250 | |a First edition. | ||
| 264 | 1 | |a Kidlington, Oxford : |b Academic Press, |c 2014. | |
| 300 | |a 1 online resource (357 pages) : |b illustrations (some color) | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 490 | 1 | |a Advances in quantum chemistry, |x 0065-3276 ; |v volume 69 | |
| 504 | |a Includes bibliographical references and index. | ||
| 588 | 0 | |a Online resource; title from PDF title page (ebrary, viewed February 27, 2014). | |
| 520 | 8 | |a Annotation |b Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This volume focuses on thetheory of heavy ion physics in medicine. This volume presents a series of articles concerning current important topics in quantum chemistry. The invited articles are written by the best people in the field. | |
| 505 | 0 | |a Front Cover; Energetic Materials; Copyright; Contents; Preface; Contributors; Chapter One: Detonation Performance and Sensitivity; 1. An Uneasy Coexistence; 2. Predicting Detonation Performance; 3. Predicting Sensitivity; 4. Examination of Some Concepts Relating to Sensitivity; 4.1. Trigger linkages; 4.2. Molecular electrostatic potentials; 4.3. Free space in crystal lattice; 5. The Quest for Balance; 5.1. N/C ratio in molecular framework; 5.2. Planar molecules; 5.3. Amino substituents; 5.4. Some final comments; Acknowledgment; References. | |
| 505 | 8 | |a Chapter Two: On the Release of Stored Energy from Energetic Materials1. Introduction; 2. General Theoretical Approach; 2.1. Conical intersections; 3. Reaction Mechanisms for Energetic Molecule Decomposition Following Electronic Excitation; 3.1. Nitramines (DMNA, RDX, HMX, CL20); 3.1.1. DMNA; 3.1.2. RDX; 3.2. Furazans; 3.3. Tetrazine and tetrazine N-Oxide energetics (daato, data, acto); 3.4. PETN [C(CH2ONO2)4]; 3.5. Imidazoles: Mono- and dinitro; 4. Future Directions, New Systems, Conclusions; Acknowledgments; References. | |
| 505 | 8 | |a Chapter Three: Quantum-Chemical Modeling of Energetic Materials: Chemical Reactions Triggered by Defects, Deformations, an ... 1. Introduction; 2. Methods; 2.1. Molecular calculations; 2.2. Chemical kinetics; 2.3. Periodic calculations; 2.4. Embedded cluster calculations; 3. Decomposition of Gas-Phase Molecules; Obtaining mechanisms and kinetics from quantum-chemical modeling; 3.1. Nitrate amines: A case study of �-HMX; 3.1.1. Reaction energies, activation barriers, and kinetics; 3.2. Nitrate esters: A case study of PETN; 3.3. Novel nitro-arenes: Case study of BNFF derivatives. | |
| 505 | 8 | |a 3.3.1. Comparing BNFF-1 and ANFF-13.4. Overall trends in the decomposition of nitro molecules; 4. Charged and Excited States: New Physics and Challenges; 4.1. Dissociation mechanisms of excited and charged DADNE molecules; 4.2. Modeling electron and hole polarons; 4.2.1. Periodic polaron calculations; 4.2.2. Embedded cluster model polaron calculations; 4.2.3. Significance; 5. Chemical Reactions in Condensed Energetic Materials: Uncertainties and Insights; 5.1. Shear-strain deformations in DADNE and TATB crystals; 5.1.1. Modeling shear-strain deformation in DADNE and TATB. | |
| 505 | 8 | |a 5.2. Autocatalytic aspects of early decomposition in ideal and deformed DADNE and TATB5.3. Concept of hot spots: Revisited; 5.4. Effect of defects: Vacancies, voids, and surfaces; 5.4.1. Decomposition of the (101) and (110) crystal surfaces in PETN; 5.5. Polar surfaces: Origin of surface conductivity; 6. Conclusion and Future Research Directions; Acknowledgments; References; Chapter Four: Geometric Metastability in Molecules as a Way to Enhance Energy Storage; 1. Introduction; 2. Theory Developments; 3. Predictive Theory in Search of HEDM; 3.1. The tetrahedral N4. | |
| 650 | 0 | |a Explosives. | |
| 650 | 0 | |a Propellants. | |
| 650 | 6 | |a Explosifs. |0 (CaQQLa)201-0017087 | |
| 650 | 6 | |a Propergols. |0 (CaQQLa)201-0031360 | |
| 650 | 7 | |a explosive. |2 aat |0 (CStmoGRI)aat300015121 | |
| 650 | 7 | |a TECHNOLOGY & ENGINEERING |x Chemical & Biochemical. |2 bisacsh | |
| 650 | 7 | |a Explosives |2 fast |0 (OCoLC)fst00918611 | |
| 650 | 7 | |a Propellants |2 fast |0 (OCoLC)fst01079078 | |
| 700 | 1 | |a Sabin, John R. | |
| 776 | 0 | 8 | |i Print version: |z 9781306448024 |
| 830 | 0 | |a Advances in quantum chemistry ; |v v. 69. | |
| 856 | 4 | 0 | |u https://sciencedirect.uam.elogim.com/science/book/9780128003459 |z Texto completo |
| 856 | 4 | 0 | |u https://sciencedirect.uam.elogim.com/science/bookseries/00653276/69 |z Texto completo |