LEADER 04296nam 2200565Ia 450 001 9910823539803321 005 20200520144314.0 010 $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(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 $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 $a6.3. COVALENT AND IONIC DESCRIPTORS OF CHEMICAL BONDS -- 6.4. TWO-ORBITAL MODEL OF CHEMICAL BOND -- 6.5. BOND-WEIGHTED CHANNELS AND WIBERG INDEX -- 6.6. ADDITIVE AND NON-ADDITIVE INFORMATION CHANNELS -- 6.7. MANY-ORBITAL PHENOMENA IN OCT -- CONCLUSION -- Appendix A INFORMATION CONTINUITY REVISITED -- A.1. PROBABILITY, CURRENT AND INFORMATION DENSITIES -- A.2. TIME-DEPENDENT PHEMOMENA AND STATIONARY ACTION PRINCIPLE -- A.3. PROBABILITY CONTINUITY -- A.4. STATIONARY-STATE RELATIONS -- A.5. INFORMATION BALANCE -- Appendix B CONDITIONAL PROBABILITIES FROM THE BOND-PROJECTED SUPERPOSITION PRINCIPLE -- Appendix C MANY-STATE SUPERPOSITION PERSPECTIVE -- Appendix D COUPLING APPROACH TO MANY-ORBITAL BOND INTERACTIONS -- ACKNOWLEDGMENTS -- BIBLIOGRAPHY -- INDEX -- Blank Page. 410 0$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 $a9910823539803321 996 $aInformation origins of the chemical bond$93922393 997 $aUNINA