Index
A
Adiabatic, 5, 9–12, 15, 16, 22–26, 29, 32, 33
Algorithmic approach, 272
Algorithmic ‘computational syntheses’, 266
Allene-type molecules, 132
Anisotropy of the deformation, 290
Anthropic Principle, 69
Anticommutative 4-D matrices, 54
Antiferroelectric, 310
Antimatter, 53
Armchair, 296, 298
Armchair mode, 288, 291, 294, 298, 299
Aromatic molecules, 261
Aromaticity concept, 260
Asymptotic phase shift, 162
Atom free valences, 265
Atomic chemical susceptibility, 265, 279, 294
Atomistic approach, 287
Auto-organization process, 66, 67
Autoionization states, 161
B
B-spline approach, 163
Bandgap, 221–227, 229–231
Bare edges, 290
Basal atoms, 265
Basal plane, 263, 267, 293–295, 298, 299
Basic quantities, 68
Bath correlations, 361, 362, 364, 366, 367,
369, 371
Bath-assisted inelastic transport, 361
Be n cages, 212
Beat frequency, 55
Benzene molecule, 250
Benzenoid units, 249, 257, 280, 289, 291
Big-Bang singularity, 62
Biological phenomena, 66, 67
Biomolecular homochirality, 67
Black hole, 62, 63
Bloch functions, 334
Bohr, 8–10, 30, 33
Bohr hydrogen radius, 60
Bohr model, 59
Bohr radius, 61
Bond rupture, 270
Born, 9–12, 14–17, 20, 21, 24–28, 32, 33, 35,
38
Bound state function, 163, 165
Breit-Wigner parameterization, 162
Broken symmetry, 29, 30
Broken symmetry approach, 254, 255
C
Capacitor, 344
Carbon anion-doping, 221, 222, 230, 231
Carbon anion-doping at oxygen site, 221, 222
C conjugation, 70
Cell nucleus, 79
Cell quality factor, 81
Cell signalling, 352
Chance and necessity, 66
Charge, 64, 70, 71
Charge quantization, 340
Charge-transfer, 212
Chemical bonding, 67
Chemical composition of any GO, 274
Chemical composition of graphene oxide, 273
Chemical dynamics, 5, 7
Chemical modification, 251, 265, 275, 290,
291, 293, 299
Chemical modification of graphene, 265, 279
Chemical portrait, 265–267
Chemical portrait of graphene, 265
Chemical reactivity, 261
M. Hotokka et al. (eds.), Advances in Quantum Methods and Applications in
Chemistry, Physics, and Biology, Progress in Theoretical Chemistry and Physics 27,
DOI 10.1007/978-3-319-01529-3,
© Springer International Publishing Switzerland 2013
373
A
Adiabatic, 5, 9–12, 15, 16, 22–26, 29, 32, 33
Algorithmic approach, 272
Algorithmic ‘computational syntheses’, 266
Allene-type molecules, 132
Anisotropy of the deformation, 290
Anthropic Principle, 69
Anticommutative 4-D matrices, 54
Antiferroelectric, 310
Antimatter, 53
Armchair, 296, 298
Armchair mode, 288, 291, 294, 298, 299
Aromatic molecules, 261
Aromaticity concept, 260
Asymptotic phase shift, 162
Atom free valences, 265
Atomic chemical susceptibility, 265, 279, 294
Atomistic approach, 287
Auto-organization process, 66, 67
Autoionization states, 161
B
B-spline approach, 163
Bandgap, 221–227, 229–231
Bare edges, 290
Basal atoms, 265
Basal plane, 263, 267, 293–295, 298, 299
Basic quantities, 68
Bath correlations, 361, 362, 364, 366, 367,
369, 371
Bath-assisted inelastic transport, 361
Be n cages, 212
Beat frequency, 55
Benzene molecule, 250
Benzenoid units, 249, 257, 280, 289, 291
Big-Bang singularity, 62
Biological phenomena, 66, 67
Biomolecular homochirality, 67
Black hole, 62, 63
Bloch functions, 334
Bohr, 8–10, 30, 33
Bohr hydrogen radius, 60
Bohr model, 59
Bohr radius, 61
Bond rupture, 270
Born, 9–12, 14–17, 20, 21, 24–28, 32, 33, 35,
38
Bound state function, 163, 165
Breit-Wigner parameterization, 162
Broken symmetry, 29, 30
Broken symmetry approach, 254, 255
C
Capacitor, 344
Carbon anion-doping, 221, 222, 230, 231
Carbon anion-doping at oxygen site, 221, 222
C conjugation, 70
Cell nucleus, 79
Cell quality factor, 81
Cell signalling, 352
Chance and necessity, 66
Charge, 64, 70, 71
Charge quantization, 340
Charge-transfer, 212
Chemical bonding, 67
Chemical composition of any GO, 274
Chemical composition of graphene oxide, 273
Chemical dynamics, 5, 7
Chemical modification, 251, 265, 275, 290,
291, 293, 299
Chemical modification of graphene, 265, 279
Chemical portrait, 265–267
Chemical portrait of graphene, 265
Chemical reactivity, 261
M. Hotokka et al. (eds.), Advances in Quantum Methods and Applications in
Chemistry, Physics, and Biology, Progress in Theoretical Chemistry and Physics 27,
DOI 10.1007/978-3-319-01529-3,
© Springer International Publishing Switzerland 2013
373