Index
377
Nanofoam, 219
Nanographane, 269, 290
Nanographene, 290, 291
Nanotubes, 280, 286
Natural selection, 66
Negative energy states, 56, 58, 59, 61
Neutron, 59
Newton, 6, 9
NMHO approximation, 184
Non-covalent interactions, 212
Non-Euclidean metric, 68
Non-stationary state problem, 163
Nordheim, 10, 11
Normal mode harmonic oscillator
approximation, 184
O
Odd electron correlation, 255, 256, 265, 275,
276, 279, 280, 292, 295, 299
Odd electrons, 249–252, 257, 260, 279, 280,
291, 299
Odd-electron origin of the graphene electron
system, 252
Old quantum theory, 3, 4, 7, 9–11, 13, 17
Olympicene, 279
Olympicene molecule, 262
Open-shell unrestricted Hartree-Fock (UHF)
approximation, 250
Operator perturbation theory, 161, 164
Oppenheimer, 11, 12, 14–16, 20, 21, 25–28,
32, 33, 35
Outside curvature, 61
Overall ‘momentum’, 55
Oxidants, 271, 272, 274
Oxidation of graphene, 274, 279
P
Pade summation, 162
P and T reversal, 70
Paraelectric, 310
Paramagnetic behaviour of graphene, 257
Particle-antiparticle pair, 62
Pauli 2-D matrices, 56
Pauling, 15
Pentacene, 279
Pentacene molecule, 261
Perturbation theory, 161, 164
Phase transition temperature, 303
Phase-space, 6–9
Photon, 63
Physical properties, 68
Piezoelectricity, 331
Planck energy, 59
Planck force, 61
Planck limit, 62, 72
Planck units, 61, 69
Plastic, 290
Plastic behavior, 288
Point charge, 55
Poisson ratio, 288
Poisson statistics, 84, 92
Polarizability, 344
Polarization, 344
Polyderivatives of graphene, 279
Polyfluorides, 272
Polyhydrides, 272, 279
Polyoxides, 279
Population of effectively unpaired electrons,
258
Position operator, 17, 19, 20, 35
Positron, 71
Positronium, 63
Potential energy surface, 3–5, 7, 12, 14, 15, 20,
24, 25, 30, 31, 33
Potential self-energy, 71
Proper interval, 72
Proteins, 78, 85
Proton, 59
Pt(111), 195–198, 204, 205, 208
Q
Quality factor, 81, 96
‘Quality’ of the bonds, 299
‘Quality’ of the C–C bond structure, 286
Quantities, 65
Quantum chromodynamics, 54
Quantum defect, 169
Quantum electrodynamics, 54
Quantum field theory, 54, 131
Quantum mechanics, 54
Quantum probability principle, 53
Quantum transport, 361
Quantum wave packet dynamics, 125
Quantum-chemical approach, 288
Quark families, 72
Quasi-Bohr substructure, 59
Quasi-Bohr subsystem, 58
R
Radial distance, 187
Radicalization, 272
Radicalization of the molecule, 295
Radius decrease, 65
RAS-CI, 135
Rayleigh-Schrödinger perturbation theory, 162
Rectangular fragment of a graphene sheet, 288
Reduced wavelength, 60
Relativistic invariance condition, 53
377
Nanofoam, 219
Nanographane, 269, 290
Nanographene, 290, 291
Nanotubes, 280, 286
Natural selection, 66
Negative energy states, 56, 58, 59, 61
Neutron, 59
Newton, 6, 9
NMHO approximation, 184
Non-covalent interactions, 212
Non-Euclidean metric, 68
Non-stationary state problem, 163
Nordheim, 10, 11
Normal mode harmonic oscillator
approximation, 184
O
Odd electron correlation, 255, 256, 265, 275,
276, 279, 280, 292, 295, 299
Odd electrons, 249–252, 257, 260, 279, 280,
291, 299
Odd-electron origin of the graphene electron
system, 252
Old quantum theory, 3, 4, 7, 9–11, 13, 17
Olympicene, 279
Olympicene molecule, 262
Open-shell unrestricted Hartree-Fock (UHF)
approximation, 250
Operator perturbation theory, 161, 164
Oppenheimer, 11, 12, 14–16, 20, 21, 25–28,
32, 33, 35
Outside curvature, 61
Overall ‘momentum’, 55
Oxidants, 271, 272, 274
Oxidation of graphene, 274, 279
P
Pade summation, 162
P and T reversal, 70
Paraelectric, 310
Paramagnetic behaviour of graphene, 257
Particle-antiparticle pair, 62
Pauli 2-D matrices, 56
Pauling, 15
Pentacene, 279
Pentacene molecule, 261
Perturbation theory, 161, 164
Phase transition temperature, 303
Phase-space, 6–9
Photon, 63
Physical properties, 68
Piezoelectricity, 331
Planck energy, 59
Planck force, 61
Planck limit, 62, 72
Planck units, 61, 69
Plastic, 290
Plastic behavior, 288
Point charge, 55
Poisson ratio, 288
Poisson statistics, 84, 92
Polarizability, 344
Polarization, 344
Polyderivatives of graphene, 279
Polyfluorides, 272
Polyhydrides, 272, 279
Polyoxides, 279
Population of effectively unpaired electrons,
258
Position operator, 17, 19, 20, 35
Positron, 71
Positronium, 63
Potential energy surface, 3–5, 7, 12, 14, 15, 20,
24, 25, 30, 31, 33
Potential self-energy, 71
Proper interval, 72
Proteins, 78, 85
Proton, 59
Pt(111), 195–198, 204, 205, 208
Q
Quality factor, 81, 96
‘Quality’ of the bonds, 299
‘Quality’ of the C–C bond structure, 286
Quantities, 65
Quantum chromodynamics, 54
Quantum defect, 169
Quantum electrodynamics, 54
Quantum field theory, 54, 131
Quantum mechanics, 54
Quantum probability principle, 53
Quantum transport, 361
Quantum wave packet dynamics, 125
Quantum-chemical approach, 288
Quark families, 72
Quasi-Bohr substructure, 59
Quasi-Bohr subsystem, 58
R
Radial distance, 187
Radicalization, 272
Radicalization of the molecule, 295
Radius decrease, 65
RAS-CI, 135
Rayleigh-Schrödinger perturbation theory, 162
Rectangular fragment of a graphene sheet, 288
Reduced wavelength, 60
Relativistic invariance condition, 53