376
Index
Independent-particle model, 335
Inelastic charge transport, 361
Inelastic transport, 361, 362, 369, 371
Inertia, 53
Inside curvature, 61
Internal Jacobi coordinates, 124
Internal motion, 53, 55, 58
Internal time ‘coordinate’, 58
International system, 67
Intrinsic magnetic moment, 56–58, 62
Intrinsic orbit, 59, 63
Invariant ‘momentum’, 55
Isolated molecule, 4, 29, 32
Isomer shifts, 62
Isotope effect, 303
Ivanov-Ivanova potential, 169
J
Jahn-Teller effect, 315
Jellium model, 184, 187
K
Kaluza-Klein theories, 56
KDP, 303
KHS, 304
Kinetic energy, 8, 12, 17–22, 26, 27, 32, 33
Kinetic self-energy, 71
Klein-Gordon equation, 54
Kragh, 14
L
Layered perovskites, 342
Light ray, 66
Light speed, 53, 63, 64, 71
Light waves, 54
Liouville equation, 90, 94
London, 11, 15
Lorentz ‘boost’ transformation factor, 54
Lorentz invariant, 54
Lorentz proper transformations, 54
Lorentz transformation equations, 70
Lorentz-invariant, 56
Löwdin, 3, 4, 26, 29, 30
M
Macroevolution, 66
Magnetic constant, 255–257, 275, 276, 279
Magnetic moment, 53, 67, 71
Magnetic poles, 71
Magnetization of the graphene crystal, 256
Magnetosensitive proteins, 67
Marcelin, 5–7
Mass, 53
Mass increase, 65
Massless charge, 53, 63, 64, 71
Mathematical topology in chemistry, 285
Matter particle, 66
Matter waves, 53, 54
Matter-energy relationship, 53
Maupertuis’ principle, 66
Maxwell equations, 54
Mayer free valence index, 258
MC_MO, 303
MD Simulation, 353
Measure of incorrectness, 255
Mechanical anisotropy, 290
Mechanical behavior of graphene, 279
Mechanical deformation, 275
Mechanochemical internal coordinate, 276,
288
Mechanochemical reaction, 276, 286, 288, 296
Metals, 343
Metastability, 211
Micro-macroscopic mechanical characteristics,
289
Micro-macroscopic mechanical parameters,
288
Microevolution, 66
Microscope transformation, 26–28
Minkowski 4-D relativistic space-time, 55
Misalignment of energy, 252
Misalignment of squared spin, 253
Mode tensile deformation, 298
Model potential, 163, 164
Modern theory of polarization, 335
Molecular chemical susceptibility, 293
Molecular structure, 3, 10, 15, 25, 29, 30
Molecular theory, 261
Molecular theory of graphene, 249, 265, 274,
280, 288
Molecular theory of sp 2 nanocarbons, 250, 252
Molecule, 294
Molecule chemical modification, 274
Molecule hydrogenation, 267
Molecule polyderivatives, 266
Molecule radicalization, 253, 257
Momentum operator, 17, 19–21
Morphodynamics, 79
Mössbauer shift, 63
Mulliken population analysis, 319
Multi-component molecular orbital, 303
Multielectron atom, 169
Muon, 59, 72
Muonium, 320
N
Naked, 293, 294
Naked molecule, 290, 297, 299
Index
Independent-particle model, 335
Inelastic charge transport, 361
Inelastic transport, 361, 362, 369, 371
Inertia, 53
Inside curvature, 61
Internal Jacobi coordinates, 124
Internal motion, 53, 55, 58
Internal time ‘coordinate’, 58
International system, 67
Intrinsic magnetic moment, 56–58, 62
Intrinsic orbit, 59, 63
Invariant ‘momentum’, 55
Isolated molecule, 4, 29, 32
Isomer shifts, 62
Isotope effect, 303
Ivanov-Ivanova potential, 169
J
Jahn-Teller effect, 315
Jellium model, 184, 187
K
Kaluza-Klein theories, 56
KDP, 303
KHS, 304
Kinetic energy, 8, 12, 17–22, 26, 27, 32, 33
Kinetic self-energy, 71
Klein-Gordon equation, 54
Kragh, 14
L
Layered perovskites, 342
Light ray, 66
Light speed, 53, 63, 64, 71
Light waves, 54
Liouville equation, 90, 94
London, 11, 15
Lorentz ‘boost’ transformation factor, 54
Lorentz invariant, 54
Lorentz proper transformations, 54
Lorentz transformation equations, 70
Lorentz-invariant, 56
Löwdin, 3, 4, 26, 29, 30
M
Macroevolution, 66
Magnetic constant, 255–257, 275, 276, 279
Magnetic moment, 53, 67, 71
Magnetic poles, 71
Magnetization of the graphene crystal, 256
Magnetosensitive proteins, 67
Marcelin, 5–7
Mass, 53
Mass increase, 65
Massless charge, 53, 63, 64, 71
Mathematical topology in chemistry, 285
Matter particle, 66
Matter waves, 53, 54
Matter-energy relationship, 53
Maupertuis’ principle, 66
Maxwell equations, 54
Mayer free valence index, 258
MC_MO, 303
MD Simulation, 353
Measure of incorrectness, 255
Mechanical anisotropy, 290
Mechanical behavior of graphene, 279
Mechanical deformation, 275
Mechanochemical internal coordinate, 276,
288
Mechanochemical reaction, 276, 286, 288, 296
Metals, 343
Metastability, 211
Micro-macroscopic mechanical characteristics,
289
Micro-macroscopic mechanical parameters,
288
Microevolution, 66
Microscope transformation, 26–28
Minkowski 4-D relativistic space-time, 55
Misalignment of energy, 252
Misalignment of squared spin, 253
Mode tensile deformation, 298
Model potential, 163, 164
Modern theory of polarization, 335
Molecular chemical susceptibility, 293
Molecular structure, 3, 10, 15, 25, 29, 30
Molecular theory, 261
Molecular theory of graphene, 249, 265, 274,
280, 288
Molecular theory of sp 2 nanocarbons, 250, 252
Molecule, 294
Molecule chemical modification, 274
Molecule hydrogenation, 267
Molecule polyderivatives, 266
Molecule radicalization, 253, 257
Momentum operator, 17, 19–21
Morphodynamics, 79
Mössbauer shift, 63
Mulliken population analysis, 319
Multi-component molecular orbital, 303
Multielectron atom, 169
Muon, 59, 72
Muonium, 320
N
Naked, 293, 294
Naked molecule, 290, 297, 299