264
Index
Bunker, 110, 112
Butler, 117, 160, 165, 190, 218, 261
C
C 60 , 38–40, 49, 102, 157, 158, 190
Calabrese, 40, 49
Cauchy theorem, 154
Cayley, 26, 27, 29, 171–173, 176, 178, 179,
189, 257
graph, 26, 27, 93
theorem, 29, 173
Cayley–Klein parameters, 171–173, 176, 178,
257
Centrosymmetry, 45
Ceulemans, 72, 93, 121, 139, 149, 152, 157,
170, 188
Character, 17, 40, 56–62, 64, 69, 70, 75–77,
84, 115, 119, 128, 135, 140, 152, 165,
167, 169, 179, 235
string, 58, 60–62, 64, 70, 115, 135
table, 57–60, 62, 64, 70, 100, 116,
176–178, 235
theorem, 51, 58, 63, 70, 75, 78, 115, 116,
120, 152, 178, 179
Charge-transfer (CT) transitions, 139
Chatterjee, 149
Chemical bonding, 153
Chemical shift, 91
Chibotaru, ix, 93, 102
Child, 191, 261
Chirality, 21, 46
Chromophore, 138, 147, 255
Circular dichroism, 46, 113, 138, 139, 141,
143–145, 147, 159, 161, 261
Circular polarization, 19, 46, 113, 132, 138,
144, 145, 152, 153, 158, 159
Clar, 157–159
Class, 32–34, 45, 57–59, 62, 64, 70, 71, 75, 93,
102, 178–180, 189, 257
Clebsch-Gordan (CG) coefficient, 117, 118,
121, 122, 128, 183
Closed shell, 87, 143
Closure, 24, 33, 61, 69, 136, 137
Clusters, 101, 113, 161, 261
Commutator, 8, 133, 147, 245
Compernolle, ix, 170, 190
Condon, 174
Condon–Shortley convention, 174
Cone, 43, 44
Conical intersection, 132
Conjugation, 32, 158
class, 32
complex, 14–17, 118, 121, 167, 180, 181,
183, 247
Conrotatory, 136, 137
Contact term, 140, 144
Continuity condition, 175
Coordinate system, 10, 38, 78, 138, 139, 141,
145, 147
Cartesian, 10, 38, 138
D2 setting, 217
tetragonal, 93–95, 108, 131–133
trigonal, 37
Coordination compounds, 37
Coset, 30–33, 45, 71–73, 248, 252
Cotton, 191, 261
Coulomb interaction, 109
Coulson, 84, 97, 101, 102
Coulson–Rushbrooke theorem, 97
Coupling channel, 128
Coupling coefficients, 117–119, 121, 122, 124,
128, 130, 131, 135, 139, 142, 143, 159,
168, 173, 174, 183, 185, 186, 221–235,
241, 243, 255, 257, 261
exchange symmetry, 122
Crystal-field potential, 169
Crystallography, 40
Cube, 35, 37, 39, 54, 93, 99, 150, 169, 170,
189, 249, 257
Cuboctahedron, 170
Curie principle, 104, 105
Curl, 38, 49
Cvetkovi´ c, 84
Cyclobutene, 136
Cyclohexadiene, 137
Cylinder, 34, 40–43
D
Day, 139
Day and Sanders model, 139, 140
Degeneracy, 56, 62, 70, 98, 100, 102, 103, 105,
106, 128, 132, 161, 180–183
Deltahedron, 154, 157
Determinant, 15, 16, 45, 54, 83, 125, 126, 159,
164, 171, 172, 246
unimodular, 171
Diatomic, 43
Dihedral, 40, 62, 159, 194, 247
Dipole, 7, 89, 103–105, 113, 127, 139–145,
159, 186, 253, 254
induced, 104
moment, 89, 103–105, 127, 140, 144, 159
Dirac, 11
Dirac notation, 11, 67, 133
Direct square, 119–121, 129, 165, 177, 184,
188, 253, 255, 257
Dish, 102
Index
Bunker, 110, 112
Butler, 117, 160, 165, 190, 218, 261
C
C 60 , 38–40, 49, 102, 157, 158, 190
Calabrese, 40, 49
Cauchy theorem, 154
Cayley, 26, 27, 29, 171–173, 176, 178, 179,
189, 257
graph, 26, 27, 93
theorem, 29, 173
Cayley–Klein parameters, 171–173, 176, 178,
257
Centrosymmetry, 45
Ceulemans, 72, 93, 121, 139, 149, 152, 157,
170, 188
Character, 17, 40, 56–62, 64, 69, 70, 75–77,
84, 115, 119, 128, 135, 140, 152, 165,
167, 169, 179, 235
string, 58, 60–62, 64, 70, 115, 135
table, 57–60, 62, 64, 70, 100, 116,
176–178, 235
theorem, 51, 58, 63, 70, 75, 78, 115, 116,
120, 152, 178, 179
Charge-transfer (CT) transitions, 139
Chatterjee, 149
Chemical bonding, 153
Chemical shift, 91
Chibotaru, ix, 93, 102
Child, 191, 261
Chirality, 21, 46
Chromophore, 138, 147, 255
Circular dichroism, 46, 113, 138, 139, 141,
143–145, 147, 159, 161, 261
Circular polarization, 19, 46, 113, 132, 138,
144, 145, 152, 153, 158, 159
Clar, 157–159
Class, 32–34, 45, 57–59, 62, 64, 70, 71, 75, 93,
102, 178–180, 189, 257
Clebsch-Gordan (CG) coefficient, 117, 118,
121, 122, 128, 183
Closed shell, 87, 143
Closure, 24, 33, 61, 69, 136, 137
Clusters, 101, 113, 161, 261
Commutator, 8, 133, 147, 245
Compernolle, ix, 170, 190
Condon, 174
Condon–Shortley convention, 174
Cone, 43, 44
Conical intersection, 132
Conjugation, 32, 158
class, 32
complex, 14–17, 118, 121, 167, 180, 181,
183, 247
Conrotatory, 136, 137
Contact term, 140, 144
Continuity condition, 175
Coordinate system, 10, 38, 78, 138, 139, 141,
145, 147
Cartesian, 10, 38, 138
D2 setting, 217
tetragonal, 93–95, 108, 131–133
trigonal, 37
Coordination compounds, 37
Coset, 30–33, 45, 71–73, 248, 252
Cotton, 191, 261
Coulomb interaction, 109
Coulson, 84, 97, 101, 102
Coulson–Rushbrooke theorem, 97
Coupling channel, 128
Coupling coefficients, 117–119, 121, 122, 124,
128, 130, 131, 135, 139, 142, 143, 159,
168, 173, 174, 183, 185, 186, 221–235,
241, 243, 255, 257, 261
exchange symmetry, 122
Crystal-field potential, 169
Crystallography, 40
Cube, 35, 37, 39, 54, 93, 99, 150, 169, 170,
189, 249, 257
Cuboctahedron, 170
Curie principle, 104, 105
Curl, 38, 49
Cvetkovi´ c, 84
Cyclobutene, 136
Cyclohexadiene, 137
Cylinder, 34, 40–43
D
Day, 139
Day and Sanders model, 139, 140
Degeneracy, 56, 62, 70, 98, 100, 102, 103, 105,
106, 128, 132, 161, 180–183
Deltahedron, 154, 157
Determinant, 15, 16, 45, 54, 83, 125, 126, 159,
164, 171, 172, 246
unimodular, 171
Diatomic, 43
Dihedral, 40, 62, 159, 194, 247
Dipole, 7, 89, 103–105, 113, 127, 139–145,
159, 186, 253, 254
induced, 104
moment, 89, 103–105, 127, 140, 144, 159
Dirac, 11
Dirac notation, 11, 67, 133
Direct square, 119–121, 129, 165, 177, 184,
188, 253, 255, 257
Dish, 102