Information origins of the chemical bond / / Roman F. Nalewajski

• Record Nr.: UNINA9910959670803321
• Autore: Nalewajski R. F (Roman F.)
• Pubbl/distr/stampa: New York, : Nova Science Publishers, c2010
• ISBN: 1-61122-929-4
• Edizione: [1st ed.]
• Descrizione fisica: 1 online resource (198 p.)
• Collana: Chemistry research and applications series
• Disciplina: 541/.224
• Soggetti: Chemical bonds; Chemistry
• Lingua di pubblicazione: Inglese
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Note generali: Description based upon print version of record.
• Nota di bibliografia: Includes bibliographical references and index.
• Nota di contenuto: Intro -- INFORMATION ORIGINS OF THE CHEMICAL BOND -- INFORMATION ORIGINS OF THE CHEMICAL BOND -- CONTENTS -- ACRONYMS -- PREFACE -- Chapter 1 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 -- Chapter 2 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 -- Chapter 3 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 -- Chapter 4 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 -- Chapter 5 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 -- Chapter 6 ORBITAL COMMUNICATION THEORY OF THE CHEMICAL BOND -- 6.1. INTRODUCTION -- 6.2. MOLECULAR INFORMATION SYSTEM IN ATOMIC ORBITAL RESOLUTION.; 6.3. 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 -- Appendix A 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 -- Appendix B CONDITIONAL PROBABILITIES FROM THE BOND-PROJECTED SUPERPOSITION PRINCIPLE -- Appendix C MANY-STATE SUPERPOSITION PERSPECTIVE -- Appendix D COUPLING APPROACH TO MANY-ORBITAL BOND INTERACTIONS -- ACKNOWLEDGMENTS -- BIBLIOGRAPHY -- INDEX -- Blank Page.
• Sommario/riassunto: The information theory is one of the youngest branches of the applied probability theory. An understanding of the distribution of information in molecules and its displacements accompanying chemical reactions is explored in this book.