LEADER 04577nam 2200589Ia 450 001 9910959670803321 005 20251116181636.0 010 $a1-61122-929-4 035 $a(CKB)2550000001041813 035 $a(EBL)3019106 035 $a(SSID)ssj0000852864 035 $a(PQKBManifestationID)12350747 035 $a(PQKBTitleCode)TC0000852864 035 $a(PQKBWorkID)10854203 035 $a(PQKB)11772821 035 $a(MiAaPQ)EBC3019106 035 $a(Au-PeEL)EBL3019106 035 $a(CaPaEBR)ebr10662913 035 $a(OCoLC)839302804 035 $a(BIP)28674025 035 $a(EXLCZ)992550000001041813 100 $a20100106d2010 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 10$aInformation origins of the chemical bond /$fRoman F. Nalewajski 205 $a1st ed. 210 $aNew York $cNova Science Publishers$dc2010 215 $a1 online resource (198 p.) 225 1 $aChemistry research and applications series 300 $aDescription based upon print version of record. 311 08$a1-61668-305-8 320 $aIncludes bibliographical references and index. 327 $aIntro -- 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. 327 $a6.3. 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. 330 $aThe information theory is one of the youngest branches of the applied probability theory. An understanding of the distribution of information in molecules and its displacements accompanying chemical reactions is explored in this book. 410 0$aChemistry research and applications series. 606 $aChemical bonds 606 $aChemistry 615 0$aChemical bonds. 615 0$aChemistry. 676 $a541/.224 700 $aNalewajski$b R. F$g(Roman F.)$01277523 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910959670803321 996 $aInformation origins of the chemical bond$94480253 997 $aUNINA