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Advances in chemical modeling. Volume 4 /
This book contains world-class chapters in the fields of: Structural Physical Chemistry: Treating the Bose-Einstein condensate at the chemical interacting level of Kohn-Sham systems, modern inequality regarding pi-electronic energy, periodicity or diatomics, modeling the atomic structure in geometri...
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
New York :
Nova Science,
2013.
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| Colección: | Chemistry research and applications series.
|
| Temas: | |
| Acceso en línea: | Texto completo |
MARC
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| 049 | |a UAMI | ||
| 245 | 0 | 0 | |a Advances in chemical modeling. |n Volume 4 / |c Mihai V. Putz, editor. |
| 260 | |a New York : |b Nova Science, |c 2013. | ||
| 300 | |a 1 online resource (volumes). | ||
| 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 Chemistry Research and Applications | |
| 500 | |a V. 4. | ||
| 504 | |a Includes bibliographical references. | ||
| 505 | 0 | |a ""ADVANCES IN CHEMICAL MODELING. VOLUME 4""; ""ADVANCES IN CHEMICAL MODELING. VOLUME 4""; ""LIBRARY OF CONGRESS CATALOGING-IN-PUBLICATION DATA""; ""CONTENTS""; ""PREFACE: CHEMICAL MODELING IN NATURAL SCIENCES""; ""STRUCTURAL PHYSICAL CHEMISTRY""; ""Chapter 1: FROM KOHN-SHAM TO GROSS-PITAEVSKY EQUATION WITHIN BOSE-EINSTEIN CONDENSATION y-THEORY""; ""Abstract""; ""1. Introduction""; ""2. Hohenberg-Kohn and Kohn-Sham Systems within BEC""; ""3. Local Density Approximation""; ""Conclusion""; ""Acknowledgments""; ""References"" | |
| 505 | 8 | |a ""Chapter 2: GENERALIZING THE MCCLELLAND AND KOOLEN-MOULTON INEQUALITIES FOR TOTALp-ELECTRON ENERGY""""Abstract""; ""1. Introduction""; ""2. The H�older Inequality""; ""3. Generalizing the McClelland Upper Bound""; ""4. Generalizing the Koolen�Moulton Upper Bound""; ""5. An Improvement for Bipartite Graphs""; ""Acknowledgment""; ""References""; ""Chapter 3: INTERNUCLEAR SEPARATIONS USING LEAST SQUARES AND NEURAL NETWORKS FOR 46 NEW MAIN-GROUP DIATOMICS""; ""Abstract""; ""1. Introduction""; ""2. The Least-Squares Analysis""; ""3. Inclusion of the Neural-Network Forecasts""; ""4. Accuracy"" | |
| 505 | 8 | |a ""5. Discussion""""Acknowledgments""; ""References""; ""Chapter 4: NORMALIZATION OF ATOMIC SPACE BASED ON THE SIX-DIMENSIONAL CUBOCTAHEDRON""; ""Abstract""; ""1. Introduction""; ""2. Electron Location Theory""; ""3. Six Dimension Theory""; ""4. Five-Fold Symmetry""; ""5. Quarks as Nucleons Theory""; ""6. Quantum Gravity Theory""; ""7. Quantum Levitation Mechanism Theory""; ""Conclusion""; ""References""; ""Chapter 5: THE ALGEBRAIC CHEMISTRY OF ELECTRONEGATIVITY""; ""Abstract""; ""1. Introduction""; ""2. The AC Model""; ""3. Inclusion of All Relevant Electrons"" | |
| 505 | 8 | |a ""4. The Main Transition Groups""""5. Noble Elements and Highest Values""; ""6. The Silicon Rule""; ""7. The Carbon Rule""; ""8. The Metalloids Band""; ""Conclusion""; ""Appendix 1. IP�s for Selected Ions of Selected Elements""; ""Appendix 2. IP�s for All Elements in Their Neutral States""; ""References""; ""Chapter 6: THE CORRELATION OF THE VARIATION OF THE CHEMICAL REACTIVITY AND SITE SELECTIVITY OF BENZENE, NAPHTHALENE AND AZULENE IN TERMS OF DENSITY FUNCTIONAL DESCRIPTORS""; ""Abstract""; ""1. Introduction"" | |
| 505 | 8 | |a ""2. The Quantum Mechanical Descriptors in the Study of the Relative Order of Reactivity, Stability and the Site Selectivity""""3. The Algorithm of Evaluating The Global and the Local Descriptors""; ""4. Method of Computation""; ""5. Discussion""; ""Conclusion""; ""References""; ""STRUCTURAL COMPUTATIONAL CHEMISTRY""; ""Chapter 7: THEORETICAL STUDY ON GROUND AND EXCITED STATES OF 3,5-DIACETYL-1,4- DIHYDROLUTIDINE""; ""Abstract""; ""1. Introduction""; ""2. Method of Calculations""; ""3. Results and Discussion""; ""Conclusion""; ""Acknowledgments""; ""References and Note"" | |
| 520 | |a This book contains world-class chapters in the fields of: Structural Physical Chemistry: Treating the Bose-Einstein condensate at the chemical interacting level of Kohn-Sham systems, modern inequality regarding pi-electronic energy, periodicity or diatomics, modeling the atomic structure in geometrical superior dimensional space, algebraic chemistry of reactivity, chemical reactivity within conceptual density functional theory (DFT); Structural Computational Chemistry: Covering theoretical studies of organic molecules in ground and excited states while modeling conformation, specific rotatio. | ||
| 590 | |a eBooks on EBSCOhost |b EBSCO eBook Subscription Academic Collection - Worldwide | ||
| 650 | 0 | |a Chemical models. | |
| 650 | 2 | |a Models, Chemical | |
| 650 | 6 | |a Modèles chimiques. | |
| 650 | 7 | |a SCIENCE |x Chemistry |x General. |2 bisacsh | |
| 650 | 7 | |a Chemical models. |2 fast |0 (OCoLC)fst00853066 | |
| 700 | 1 | |a Putz, Mihai V. | |
| 776 | 0 | 8 | |i Print version: |a Putz, Mihai V. |t Advances in Chemical Modeling. Volume 4. |d Hauppauge : Nova Science Publishers, Inc., ©2014 |z 9781628081862 |
| 830 | 0 | |a Chemistry research and applications series. | |
| 856 | 4 | 0 | |u https://ebsco.uam.elogim.com/login.aspx?direct=true&scope=site&db=nlebk&AN=644633 |z Texto completo |
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| 994 | |a 92 |b IZTAP | ||