Information origins of the chemical bond /:
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
New York :
Nova Science Publishers, Inc.,
[2010]
|
| Schriftenreihe: | Chemistry research and applications series.
|
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Beschreibung: | 1 online resource. |
| Bibliographie: | Includes bibliographical references and index. |
| ISBN: | 9781616683054 1616683058 1611229294 9781611229295 |
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| 245 | 1 | 0 | |a Information origins of the chemical bond / |c Roman F. Nalewajski, Department of Theoretical Chemistry, Jagiellonian University, Cracow, Poland. |
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| 490 | 1 | |a Chemistry research and applications series | |
| 504 | |a Includes bibliographical references and index. | ||
| 588 | |a Description based on print version record and CIP data provided by publisher. | ||
| 505 | 0 | |a INFORMATION ORIGINS OF THE CHEMICAL BOND ; INFORMATION ORIGINS OF THE CHEMICAL BOND ; CONTENTS ; ACRONYMS ; PREFACE ; INTRODUCTION TO INFORMATION THEORY ; 1.1. ENTROPY AND INFORMATION ; 1.2. RELATIVE MEASURES OF INFORMATION CONTENT ; 1.3. DEPENDENT PROBABILITY DISTRIBUTIONS ; 1.4. COMMUNICATION SYSTEMS AND THEIR ENTROPY/INFORMATION DESCRIPTORS ; 1.5. SEVERAL PROBABILITY SCHEMES ; 1.6. VARIATIONAL PRINCIPLES ; SCHRÖDINGER EQUATIONS FROM FISHER INFORMATION; 2.1. FISHER INFORMATION FOR COMPLEX PROBABILITY AMPLITUDES; 2.2. CONTINUITY EQUATIONS. | |
| 505 | 8 | |a 2.3. STATIONARY SCHRÖDINGER EQUATION AS INFORMATION PRINCIPLE 2.4. TIME-DEPENDENT SCHRÖDINGER EQUATION FROM FISHER INFORMATION ; 2.5. INFORMATION PRINCIPLE GENERATING KOHN-SHAM EQUATIONS; 2.6. INFORMATION PRINCIPLE FOR ADIABATIC SEPARATION OF ELECTRONS AND NUCLEI; 2.7. SUPERPOSITION PRINCIPLES ; ELECTRON DISTRIBUTIONS AS CARRIERS OF INFORMATION IN MOLECULES; 3.1. ALTERNATIVE LOCAL INFORMATION PROBES OF CHEMICAL BONDS; 3.2. COMPARISON BETWEEN DENSITY-DIFFERENCE AND INFORMATION-DISTANCE DIAGRAMS ; 3.3. ENTROPY DISPLACEMENT DESCRIPTORS ; 3.4. ILLUSTRATIVE APPLICATION TO PROPELLANES. | |
| 505 | 8 | |a BONDED ATOMS FROM INFORMATION THEORY 4.1. CHEMICAL CONCEPTS ; 4.2. STOCKHOLDER ATOMS-IN-MOLECULES ; 4.3. INFORMATION-THEORETIC JUSTIFICATION ; 4.4. REPRESENTATIVE INFORMATION DENSITIES ; IMPORTANCE OF NON-ADDITIVE INFORMATION MEASURES ; 5.1. ALTERNATIVE RESOLUTIONS AND THEIR ADDITIVE AND NON-ADDITIVE COMPONENTS ; 5.2. ELECTRON LOCALIZATION FUNCTION ; 5.3. CONTRA-GRADIENCE CRITERION OF BOND LOCALIZATION ; 5.4. ILLUSTRATIVE APPLICATIONS ; 5.5. CONCLUDING REMARKS ; ORBITAL COMMUNICATION THEORY OF THE CHEMICAL BOND; 6.1. INTRODUCTION. | |
| 505 | 8 | |a 6.2. MOLECULAR INFORMATION SYSTEM IN ATOMIC ORBITAL RESOLUTION6.3. COVALENT AND IONIC DESCRIPTORS OF CHEMICAL BONDS; 6.4. TWO-ORBITAL MODEL OF CHEMICAL BOND ; 6.5. BOND-WEIGHTED CHANNELS AND WIBERG INDEX ; 6.6. ADDITIVE AND NON-ADDITIVE INFORMATION CHANNELS; 6.7. MANY-ORBITAL PHENOMENA IN OCT ; CONCLUSION ; INFORMATION CONTINUITY REVISITED ; A.1. PROBABILITY, CURRENT, AND INFORMATION DENSITIES; A.2. TIME-DEPENDENT PHEMOMENA AND STATIONARY ACTION PRINCIPLE; A.3. PROBABILITY CONTINUITY ; A.4. STATIONARY-STATE RELATIONS ; A.5. INFORMATION BALANCE. | |
| 505 | 8 | |a CONDITIONAL PROBABILITIES FROM THE BOND-PROJECTED SUPERPOSITION PRINCIPLEMANY-STATE SUPERPOSITION PERSPECTIVE ; COUPLING APPROACH TO MANY-ORBITAL BOND INTERACTIONS ; ACKNOWLEDGMENTS ; BIBLIOGRAPHY ; INDEX. | |
| 546 | |a English. | ||
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| author | Nalewajski, R. F. (Roman F.) |
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| contents | INFORMATION ORIGINS OF THE CHEMICAL BOND ; INFORMATION ORIGINS OF THE CHEMICAL BOND ; CONTENTS ; ACRONYMS ; PREFACE ; INTRODUCTION TO INFORMATION THEORY ; 1.1. ENTROPY AND INFORMATION ; 1.2. RELATIVE MEASURES OF INFORMATION CONTENT ; 1.3. DEPENDENT PROBABILITY DISTRIBUTIONS ; 1.4. COMMUNICATION SYSTEMS AND THEIR ENTROPY/INFORMATION DESCRIPTORS ; 1.5. SEVERAL PROBABILITY SCHEMES ; 1.6. VARIATIONAL PRINCIPLES ; SCHRÖDINGER EQUATIONS FROM FISHER INFORMATION; 2.1. FISHER INFORMATION FOR COMPLEX PROBABILITY AMPLITUDES; 2.2. CONTINUITY EQUATIONS. 2.3. STATIONARY SCHRÖDINGER EQUATION AS INFORMATION PRINCIPLE 2.4. TIME-DEPENDENT SCHRÖDINGER EQUATION FROM FISHER INFORMATION ; 2.5. INFORMATION PRINCIPLE GENERATING KOHN-SHAM EQUATIONS; 2.6. INFORMATION PRINCIPLE FOR ADIABATIC SEPARATION OF ELECTRONS AND NUCLEI; 2.7. SUPERPOSITION PRINCIPLES ; ELECTRON DISTRIBUTIONS AS CARRIERS OF INFORMATION IN MOLECULES; 3.1. ALTERNATIVE LOCAL INFORMATION PROBES OF CHEMICAL BONDS; 3.2. COMPARISON BETWEEN DENSITY-DIFFERENCE AND INFORMATION-DISTANCE DIAGRAMS ; 3.3. ENTROPY DISPLACEMENT DESCRIPTORS ; 3.4. ILLUSTRATIVE APPLICATION TO PROPELLANES. BONDED ATOMS FROM INFORMATION THEORY 4.1. CHEMICAL CONCEPTS ; 4.2. STOCKHOLDER ATOMS-IN-MOLECULES ; 4.3. INFORMATION-THEORETIC JUSTIFICATION ; 4.4. REPRESENTATIVE INFORMATION DENSITIES ; IMPORTANCE OF NON-ADDITIVE INFORMATION MEASURES ; 5.1. ALTERNATIVE RESOLUTIONS AND THEIR ADDITIVE AND NON-ADDITIVE COMPONENTS ; 5.2. ELECTRON LOCALIZATION FUNCTION ; 5.3. CONTRA-GRADIENCE CRITERION OF BOND LOCALIZATION ; 5.4. ILLUSTRATIVE APPLICATIONS ; 5.5. CONCLUDING REMARKS ; ORBITAL COMMUNICATION THEORY OF THE CHEMICAL BOND; 6.1. INTRODUCTION. 6.2. MOLECULAR INFORMATION SYSTEM IN ATOMIC ORBITAL RESOLUTION6.3. COVALENT AND IONIC DESCRIPTORS OF CHEMICAL BONDS; 6.4. TWO-ORBITAL MODEL OF CHEMICAL BOND ; 6.5. BOND-WEIGHTED CHANNELS AND WIBERG INDEX ; 6.6. ADDITIVE AND NON-ADDITIVE INFORMATION CHANNELS; 6.7. MANY-ORBITAL PHENOMENA IN OCT ; CONCLUSION ; INFORMATION CONTINUITY REVISITED ; A.1. PROBABILITY, CURRENT, AND INFORMATION DENSITIES; A.2. TIME-DEPENDENT PHEMOMENA AND STATIONARY ACTION PRINCIPLE; A.3. PROBABILITY CONTINUITY ; A.4. STATIONARY-STATE RELATIONS ; A.5. INFORMATION BALANCE. CONDITIONAL PROBABILITIES FROM THE BOND-PROJECTED SUPERPOSITION PRINCIPLEMANY-STATE SUPERPOSITION PERSPECTIVE ; COUPLING APPROACH TO MANY-ORBITAL BOND INTERACTIONS ; ACKNOWLEDGMENTS ; BIBLIOGRAPHY ; INDEX. |
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| illustrated | Illustrated |
| indexdate | 2024-11-27T13:25:17Z |
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| isbn | 9781616683054 1616683058 1611229294 9781611229295 |
| language | English |
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| series | Chemistry research and applications series. |
| series2 | Chemistry research and applications series |
| spelling | Nalewajski, R. F. (Roman F.) https://id.oclc.org/worldcat/entity/E39PBJhX4JhKcRQM6YFYQyf6rq http://id.loc.gov/authorities/names/nr96040619 Information origins of the chemical bond / Roman F. Nalewajski, Department of Theoretical Chemistry, Jagiellonian University, Cracow, Poland. New York : Nova Science Publishers, Inc., [2010] 1 online resource. text txt rdacontent computer c rdamedia online resource cr rdacarrier Chemistry research and applications series Includes bibliographical references and index. Description based on print version record and CIP data provided by publisher. INFORMATION ORIGINS OF THE CHEMICAL BOND ; INFORMATION ORIGINS OF THE CHEMICAL BOND ; CONTENTS ; ACRONYMS ; PREFACE ; INTRODUCTION TO INFORMATION THEORY ; 1.1. ENTROPY AND INFORMATION ; 1.2. RELATIVE MEASURES OF INFORMATION CONTENT ; 1.3. DEPENDENT PROBABILITY DISTRIBUTIONS ; 1.4. COMMUNICATION SYSTEMS AND THEIR ENTROPY/INFORMATION DESCRIPTORS ; 1.5. SEVERAL PROBABILITY SCHEMES ; 1.6. VARIATIONAL PRINCIPLES ; SCHRÖDINGER EQUATIONS FROM FISHER INFORMATION; 2.1. FISHER INFORMATION FOR COMPLEX PROBABILITY AMPLITUDES; 2.2. CONTINUITY EQUATIONS. 2.3. STATIONARY SCHRÖDINGER EQUATION AS INFORMATION PRINCIPLE 2.4. TIME-DEPENDENT SCHRÖDINGER EQUATION FROM FISHER INFORMATION ; 2.5. INFORMATION PRINCIPLE GENERATING KOHN-SHAM EQUATIONS; 2.6. INFORMATION PRINCIPLE FOR ADIABATIC SEPARATION OF ELECTRONS AND NUCLEI; 2.7. SUPERPOSITION PRINCIPLES ; ELECTRON DISTRIBUTIONS AS CARRIERS OF INFORMATION IN MOLECULES; 3.1. ALTERNATIVE LOCAL INFORMATION PROBES OF CHEMICAL BONDS; 3.2. COMPARISON BETWEEN DENSITY-DIFFERENCE AND INFORMATION-DISTANCE DIAGRAMS ; 3.3. ENTROPY DISPLACEMENT DESCRIPTORS ; 3.4. ILLUSTRATIVE APPLICATION TO PROPELLANES. BONDED ATOMS FROM INFORMATION THEORY 4.1. CHEMICAL CONCEPTS ; 4.2. STOCKHOLDER ATOMS-IN-MOLECULES ; 4.3. INFORMATION-THEORETIC JUSTIFICATION ; 4.4. REPRESENTATIVE INFORMATION DENSITIES ; IMPORTANCE OF NON-ADDITIVE INFORMATION MEASURES ; 5.1. ALTERNATIVE RESOLUTIONS AND THEIR ADDITIVE AND NON-ADDITIVE COMPONENTS ; 5.2. ELECTRON LOCALIZATION FUNCTION ; 5.3. CONTRA-GRADIENCE CRITERION OF BOND LOCALIZATION ; 5.4. ILLUSTRATIVE APPLICATIONS ; 5.5. CONCLUDING REMARKS ; ORBITAL COMMUNICATION THEORY OF THE CHEMICAL BOND; 6.1. INTRODUCTION. 6.2. MOLECULAR INFORMATION SYSTEM IN ATOMIC ORBITAL RESOLUTION6.3. COVALENT AND IONIC DESCRIPTORS OF CHEMICAL BONDS; 6.4. TWO-ORBITAL MODEL OF CHEMICAL BOND ; 6.5. BOND-WEIGHTED CHANNELS AND WIBERG INDEX ; 6.6. ADDITIVE AND NON-ADDITIVE INFORMATION CHANNELS; 6.7. MANY-ORBITAL PHENOMENA IN OCT ; CONCLUSION ; INFORMATION CONTINUITY REVISITED ; A.1. PROBABILITY, CURRENT, AND INFORMATION DENSITIES; A.2. TIME-DEPENDENT PHEMOMENA AND STATIONARY ACTION PRINCIPLE; A.3. PROBABILITY CONTINUITY ; A.4. STATIONARY-STATE RELATIONS ; A.5. INFORMATION BALANCE. CONDITIONAL PROBABILITIES FROM THE BOND-PROJECTED SUPERPOSITION PRINCIPLEMANY-STATE SUPERPOSITION PERSPECTIVE ; COUPLING APPROACH TO MANY-ORBITAL BOND INTERACTIONS ; ACKNOWLEDGMENTS ; BIBLIOGRAPHY ; INDEX. English. Chemical bonds. http://id.loc.gov/authorities/subjects/sh85022892 SCIENCE Chemistry Computational & Molecular Modeling. bisacsh Chemical bonds fast Print version: Information origins of the chemical bond New York : Nova Science Publishers, c2010. 9781616683054 (softcover) (DLC) 2009052735 Chemistry research and applications series. http://id.loc.gov/authorities/names/no2010013392 FWS01 ZDB-4-EBA FWS_PDA_EBA https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=539981 Volltext |
| spellingShingle | Nalewajski, R. F. (Roman F.) Information origins of the chemical bond / Chemistry research and applications series. INFORMATION ORIGINS OF THE CHEMICAL BOND ; INFORMATION ORIGINS OF THE CHEMICAL BOND ; CONTENTS ; ACRONYMS ; PREFACE ; INTRODUCTION TO INFORMATION THEORY ; 1.1. ENTROPY AND INFORMATION ; 1.2. RELATIVE MEASURES OF INFORMATION CONTENT ; 1.3. DEPENDENT PROBABILITY DISTRIBUTIONS ; 1.4. COMMUNICATION SYSTEMS AND THEIR ENTROPY/INFORMATION DESCRIPTORS ; 1.5. SEVERAL PROBABILITY SCHEMES ; 1.6. VARIATIONAL PRINCIPLES ; SCHRÖDINGER EQUATIONS FROM FISHER INFORMATION; 2.1. FISHER INFORMATION FOR COMPLEX PROBABILITY AMPLITUDES; 2.2. CONTINUITY EQUATIONS. 2.3. STATIONARY SCHRÖDINGER EQUATION AS INFORMATION PRINCIPLE 2.4. TIME-DEPENDENT SCHRÖDINGER EQUATION FROM FISHER INFORMATION ; 2.5. INFORMATION PRINCIPLE GENERATING KOHN-SHAM EQUATIONS; 2.6. INFORMATION PRINCIPLE FOR ADIABATIC SEPARATION OF ELECTRONS AND NUCLEI; 2.7. SUPERPOSITION PRINCIPLES ; ELECTRON DISTRIBUTIONS AS CARRIERS OF INFORMATION IN MOLECULES; 3.1. ALTERNATIVE LOCAL INFORMATION PROBES OF CHEMICAL BONDS; 3.2. COMPARISON BETWEEN DENSITY-DIFFERENCE AND INFORMATION-DISTANCE DIAGRAMS ; 3.3. ENTROPY DISPLACEMENT DESCRIPTORS ; 3.4. ILLUSTRATIVE APPLICATION TO PROPELLANES. BONDED ATOMS FROM INFORMATION THEORY 4.1. CHEMICAL CONCEPTS ; 4.2. STOCKHOLDER ATOMS-IN-MOLECULES ; 4.3. INFORMATION-THEORETIC JUSTIFICATION ; 4.4. REPRESENTATIVE INFORMATION DENSITIES ; IMPORTANCE OF NON-ADDITIVE INFORMATION MEASURES ; 5.1. ALTERNATIVE RESOLUTIONS AND THEIR ADDITIVE AND NON-ADDITIVE COMPONENTS ; 5.2. ELECTRON LOCALIZATION FUNCTION ; 5.3. CONTRA-GRADIENCE CRITERION OF BOND LOCALIZATION ; 5.4. ILLUSTRATIVE APPLICATIONS ; 5.5. CONCLUDING REMARKS ; ORBITAL COMMUNICATION THEORY OF THE CHEMICAL BOND; 6.1. INTRODUCTION. 6.2. MOLECULAR INFORMATION SYSTEM IN ATOMIC ORBITAL RESOLUTION6.3. COVALENT AND IONIC DESCRIPTORS OF CHEMICAL BONDS; 6.4. TWO-ORBITAL MODEL OF CHEMICAL BOND ; 6.5. BOND-WEIGHTED CHANNELS AND WIBERG INDEX ; 6.6. ADDITIVE AND NON-ADDITIVE INFORMATION CHANNELS; 6.7. MANY-ORBITAL PHENOMENA IN OCT ; CONCLUSION ; INFORMATION CONTINUITY REVISITED ; A.1. PROBABILITY, CURRENT, AND INFORMATION DENSITIES; A.2. TIME-DEPENDENT PHEMOMENA AND STATIONARY ACTION PRINCIPLE; A.3. PROBABILITY CONTINUITY ; A.4. STATIONARY-STATE RELATIONS ; A.5. INFORMATION BALANCE. CONDITIONAL PROBABILITIES FROM THE BOND-PROJECTED SUPERPOSITION PRINCIPLEMANY-STATE SUPERPOSITION PERSPECTIVE ; COUPLING APPROACH TO MANY-ORBITAL BOND INTERACTIONS ; ACKNOWLEDGMENTS ; BIBLIOGRAPHY ; INDEX. Chemical bonds. http://id.loc.gov/authorities/subjects/sh85022892 SCIENCE Chemistry Computational & Molecular Modeling. bisacsh Chemical bonds fast |
| subject_GND | http://id.loc.gov/authorities/subjects/sh85022892 |
| title | Information origins of the chemical bond / |
| title_auth | Information origins of the chemical bond / |
| title_exact_search | Information origins of the chemical bond / |
| title_full | Information origins of the chemical bond / Roman F. Nalewajski, Department of Theoretical Chemistry, Jagiellonian University, Cracow, Poland. |
| title_fullStr | Information origins of the chemical bond / Roman F. Nalewajski, Department of Theoretical Chemistry, Jagiellonian University, Cracow, Poland. |
| title_full_unstemmed | Information origins of the chemical bond / Roman F. Nalewajski, Department of Theoretical Chemistry, Jagiellonian University, Cracow, Poland. |
| title_short | Information origins of the chemical bond / |
| title_sort | information origins of the chemical bond |
| topic | Chemical bonds. http://id.loc.gov/authorities/subjects/sh85022892 SCIENCE Chemistry Computational & Molecular Modeling. bisacsh Chemical bonds fast |
| topic_facet | Chemical bonds. SCIENCE Chemistry Computational & Molecular Modeling. Chemical bonds |
| url | https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=539981 |
| work_keys_str_mv | AT nalewajskirf informationoriginsofthechemicalbond |