| Preface |
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| Part I Introduction |
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3 | (8) |
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Molecules and Molecular Systems |
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3 | (1) |
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A New Trend in Molecular Science: From Molecules to Supermolecules and Molecular Systems |
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4 | (1) |
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Molecular Interactions and Functionality of Molecular Systems |
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5 | (6) |
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7 | (4) |
| Part II Theoretical Aspects of Electrons in Molecules and Molecular Systems |
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Electronic Structure Theory |
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11 | (22) |
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Electronic Structure Theory |
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12 | (9) |
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Some Illustrative Calculations |
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21 | (12) |
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30 | (3) |
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Electrons in Molecular Liquids |
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33 | (15) |
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33 | (5) |
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Electronic Structure of Solute Molecules in Solvents |
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38 | (6) |
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44 | (4) |
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46 | (2) |
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Electrons in Molecular Solids |
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48 | (19) |
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Excitons in Molecular Solids |
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48 | (8) |
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Peierls Transitions and Solitons in Molecular Solids |
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56 | (11) |
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65 | (2) |
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Electrons in Specific Molecular Systems |
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67 | (28) |
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Molecular Interactions Between Open-Shell Species |
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67 | (5) |
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Organic Ferromagnetic Clusters |
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72 | (5) |
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Organic Ferromagnetic Crystals |
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77 | (5) |
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Possibilities of Organic Magnetic Metals and Other Exotic Molecular Systems |
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82 | (13) |
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89 | (6) |
| Part III Fundamental Processes in Molecules and Molecular Systems |
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Molecular Recognition and Self-Regulation |
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95 | (15) |
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Theoretical Descriptions of Molecular Interactions |
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95 | (3) |
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Orbital Interaction View of Molecular Interactions |
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98 | (6) |
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Bonding of Molecular Complexes |
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104 | (4) |
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A Theoretical Perspective on Molecular Recognition |
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108 | (2) |
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108 | (2) |
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110 | (17) |
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Vibrational Energy Transfer in the Gas and Liquid Phases |
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110 | (8) |
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Electronic Energy Transfer in the Gas and Liquid Phases |
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118 | (9) |
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125 | (2) |
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127 | (15) |
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Nonadiabatic Electron Transfer |
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128 | (6) |
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Adiabatic Electron Transfer (Solvation Limited Reaction) |
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134 | (2) |
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Electron Transfer Faster than Solvation Times |
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136 | (6) |
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140 | (2) |
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142 | (10) |
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Intermolecular ESPT and Relaxation Processes |
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144 | (3) |
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Intramolecular ESPT and Relaxation Processes |
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147 | (5) |
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150 | (2) |
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152 | (23) |
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Molecular and Electronic Structure of Carbenes and Nitrenes |
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153 | (2) |
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Generation of Carbenes and Nitrenes from Diazo and Azide Compounds |
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155 | (1) |
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Reaction Patterns of Carbenes and Nitrenes in Solution |
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156 | (4) |
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Decomposition of Diazo and Related Compounds Coupled with Electron Transfer |
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160 | (1) |
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Spectroscopic Study of Carbenes and Nitrenes in Matrices |
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161 | (2) |
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Chemical Reaction of Carbenes and Nitrenes in Condensed Phases |
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163 | (2) |
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Decomposition of Diazo Compounds Coupled with Energy Transfer |
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165 | (1) |
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Photochemical Generation of High-Spin Polycarbenes and Polynitrenes |
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166 | (9) |
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169 | (6) |
| Part IV Structure and Properties of Molecules and Molecular Systems |
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Electric and Magnetic Properties |
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175 | (16) |
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Electric Properties of Organic Molecular Solids: Organic Semiconductors, Conductors, and Superconductors |
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176 | (9) |
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Magnetic Properties of Organic Molecular Solids |
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185 | (6) |
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189 | (2) |
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191 | (34) |
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Basic Optical Properties of Molecular Solids |
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191 | (7) |
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Optical Properties of Some Functional Molecular Systems |
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198 | (8) |
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Photoelectron Spectroscopy of Molecular Solids |
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206 | (10) |
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NEXAFS Spectroscopy of Organic Materials |
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216 | (9) |
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222 | (3) |
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Thermal and Mechanical Properties |
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225 | (18) |
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Specific Heat of Molecular Solids |
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225 | (2) |
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Specific Heat of Graphite Intercalation Compounds |
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227 | (6) |
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Thermal Expansion of Molecular Solids |
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233 | (3) |
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236 | (7) |
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240 | (3) |
| Part V Environmental and External Effects |
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243 | (19) |
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Solvation and Solvent Cage |
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243 | (8) |
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The Role of Viscosity in Solution Processes |
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251 | (11) |
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260 | (2) |
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Size and Structure Effects |
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262 | (22) |
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Size Effects on Photo-Induced Chemical Reactions of Molecular Clusters |
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262 | (6) |
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Size Effect on the Exact Location of Two Positive Charges in Small Clusters |
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268 | (6) |
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Structure-Making Solutes in Aqueous Environments: Clustering of Solute and Solvent Molecules |
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274 | (10) |
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281 | (3) |
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284 | (17) |
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Polymer Effects on Energy Levels |
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284 | (7) |
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Polymer Effects in Biology |
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291 | (10) |
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299 | (2) |
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Electric and Magnetic Field Effects |
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301 | (20) |
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301 | (5) |
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306 | (15) |
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317 | (4) |
| Part VI Molecular Design and Functionality of Molecular Systems |
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Molecular Design and Functionality of Molecular Systems |
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321 | (8) |
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Molecules and Molecular Environments |
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322 | (2) |
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Studies of the Functionality of Molecular Systems |
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324 | (2) |
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Molecular Functionality and Design |
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326 | (3) |
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327 | (2) |
| Index |
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329 | |
