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

• Record Nr.: UNINA9910823539803321
• 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.