Index
375
Electron mean free path, 257
Electron spin, 131
Electronic structure, 3, 10, 11
Electrostatic field, 331
Electrostatic self-energy, 64
Encapsulation, 216
Endohedral doping, 219
Energy barriers to extraction of H 2 , 219
Energy complex matrix, 170
Energy gradient along the MIC, 289
Energy of pure-spin states, 254
Enhances a visible-light photocatalytic
activity, 221, 222
Ententional meaning, 82
Epigenetic factor, 77
Equilibrium configuration, 8, 12, 33
Exchange integral, 255
Expansion (1/n) method, 172
Exterior-scaling procedure, 163
External motion, 54
External orbit, 63
F
Fermat’s principle, 66
Fermi golden rule, 171
Fine-structure constant, 60, 61, 69
Finite-basis-set approximation, 163
Fixed, 275
Fixed membrane, 267, 269, 271
Fock, 12
Force of response, 289
Framing edge atoms, 290
Free standing, 297
Free standing and fixed membrane, 267
Free standing membrane, 275
Frequency-energy relationship, 53
Fullerene C 60 , 250, 265
Fullerene Si 60 , 250
Fullerenes, 280, 286
G
G-proteins, 351
Gauge invariance, 30
Gaussian wave packet, 121
GDP, 352
Generator Coordinate Method, 24
Genetic algorithms, 183
Genetic alphabet, 83
Genetic factor, 77
Gibbs, 5–7
Gödel’s theorem, 86, 88
Gold, 182
Gold clusters, 182
Graphane, 269, 288
Graphene, 280, 286, 292, 294, 299
Graphene catalytic activity, 280
Graphene deformation, 251
Graphene magnetism, 257, 279
Graphene magnetization, 255, 257
Graphene molecule, 263, 265, 274, 279, 299
Graphene molecule deformation and rupture,
276
Graphene odd electrons, 287
Graphene oxide (GO) chemistry, 271
Graphene polyhydride, 270
Graphene polyoxides, 272
Graphene quantum dots, 280
Gravitation, 53
Gravitational force, 61, 67
Gravitational invariant, 60, 69
Growth, 188
GTP, 352
Guanosine diphosphate, 352
Guanosine triphosphate, 352
H
H-terminated, 293
H 1 -terminated, 297
H 1 -terminated edges, 290
H 2 -terminated edges, 290
H 2 SQ, 305
Half-integer spin, 53
Hamiltonian, 3, 4, 7–11, 13–22, 24, 25, 27–33,
35, 36
Hamilton’s equations, 66
Hartree-Fock unrestricted (UHF), 289
Heat capacity, 190
Heisenberg, 10, 12, 14, 15, 17
Heisenberg representation, 57
Heisenberg uncertainty principle, 58
Hierarchy of complexity, 65
Hilbert space, 18–21, 26, 33–35, 37
Homeodynamics, 76
Homologous, 70, 71
Hras, 351
Hybrid DFT, 223, 224, 230
Hydrogen atom, 59
Hydrogen confinement, 211
Hydrogen-bonded dielectric materials, 303
Hydrogen-framed graphene molecule, 267
Hydrogen-framed membrane, 267
Hydrogenation, 270, 271, 274, 279
Hyperfine couplings, 62
Hyperpolarizability, 344
I
In the basal plane, 291
In-cage dissociation, 211
375
Electron mean free path, 257
Electron spin, 131
Electronic structure, 3, 10, 11
Electrostatic field, 331
Electrostatic self-energy, 64
Encapsulation, 216
Endohedral doping, 219
Energy barriers to extraction of H 2 , 219
Energy complex matrix, 170
Energy gradient along the MIC, 289
Energy of pure-spin states, 254
Enhances a visible-light photocatalytic
activity, 221, 222
Ententional meaning, 82
Epigenetic factor, 77
Equilibrium configuration, 8, 12, 33
Exchange integral, 255
Expansion (1/n) method, 172
Exterior-scaling procedure, 163
External motion, 54
External orbit, 63
F
Fermat’s principle, 66
Fermi golden rule, 171
Fine-structure constant, 60, 61, 69
Finite-basis-set approximation, 163
Fixed, 275
Fixed membrane, 267, 269, 271
Fock, 12
Force of response, 289
Framing edge atoms, 290
Free standing, 297
Free standing and fixed membrane, 267
Free standing membrane, 275
Frequency-energy relationship, 53
Fullerene C 60 , 250, 265
Fullerene Si 60 , 250
Fullerenes, 280, 286
G
G-proteins, 351
Gauge invariance, 30
Gaussian wave packet, 121
GDP, 352
Generator Coordinate Method, 24
Genetic algorithms, 183
Genetic alphabet, 83
Genetic factor, 77
Gibbs, 5–7
Gödel’s theorem, 86, 88
Gold, 182
Gold clusters, 182
Graphane, 269, 288
Graphene, 280, 286, 292, 294, 299
Graphene catalytic activity, 280
Graphene deformation, 251
Graphene magnetism, 257, 279
Graphene magnetization, 255, 257
Graphene molecule, 263, 265, 274, 279, 299
Graphene molecule deformation and rupture,
276
Graphene odd electrons, 287
Graphene oxide (GO) chemistry, 271
Graphene polyhydride, 270
Graphene polyoxides, 272
Graphene quantum dots, 280
Gravitation, 53
Gravitational force, 61, 67
Gravitational invariant, 60, 69
Growth, 188
GTP, 352
Guanosine diphosphate, 352
Guanosine triphosphate, 352
H
H-terminated, 293
H 1 -terminated, 297
H 1 -terminated edges, 290
H 2 -terminated edges, 290
H 2 SQ, 305
Half-integer spin, 53
Hamiltonian, 3, 4, 7–11, 13–22, 24, 25, 27–33,
35, 36
Hamilton’s equations, 66
Hartree-Fock unrestricted (UHF), 289
Heat capacity, 190
Heisenberg, 10, 12, 14, 15, 17
Heisenberg representation, 57
Heisenberg uncertainty principle, 58
Hierarchy of complexity, 65
Hilbert space, 18–21, 26, 33–35, 37
Homeodynamics, 76
Homologous, 70, 71
Hras, 351
Hybrid DFT, 223, 224, 230
Hydrogen atom, 59
Hydrogen confinement, 211
Hydrogen-bonded dielectric materials, 303
Hydrogen-framed graphene molecule, 267
Hydrogen-framed membrane, 267
Hydrogenation, 270, 271, 274, 279
Hyperfine couplings, 62
Hyperpolarizability, 344
I
In the basal plane, 291
In-cage dissociation, 211