Index
A
Acetylene, 215–217, 408, 409, 422, 424
Acrolein, 343, 344
Allyl cation, 348, 350
[n]Annulenes (C n H n ), 105
Antiaromaticity, 213, 322, 323
Antiferromagnetic, 121, 363, 372, 374, 376,
378, 380, 381, 390, 392
Anthracene, 370, 373
Aromatic Fluctuation Index (FLU), 71, 73–75,
322
Aromaticity, 7, 17, 48, 70, 71, 73–75,
104–108, 112, 113, 197, 199, 213, 259,
301, 304, 305, 308–312, 321, 322, 323,
326–329, 331, 332, 356, 493
δ-Aromaticity, 321
σ-Aromaticity, 197, 199
Astatine, 555
B
Baird’s rule, 326, 327, 332
Benzene, 3, 70, 71, 73–75, 106, 107, 110, 123,
191, 200, 217, 297, 298, 322–324, 326,
327, 330, 331, 347, 350–353, 362, 367,
382, 386, 403, 419–421, 423, 424, 495,
498, 500, 503–505, 508
Benzenoid, 71, 73, 106, 297–302, 305–308,
311, 313, 314
Benzoic acid, 63, 68–70
Benzopyrene, 299, 301–303
Beryllium bond, 464, 465, 467, 468, 471, 472,
475, 476, 479, 480, 481, 483
Bifurcations, 170, 171, 193, 200
Binary complexes, 465, 466, 469, 472,
476–480, 482, 483
Biphenyl, 106
1,4-Biphenylenedione, 357, 359
Bisanthrene, 309–313
Bond Critical Point (BCP), 28–30, 33, 37, 54,
66, 400, 404, 422, 424, 425, 430, 463
Bond path, 16, 28, 54–57, 67, 104, 105, 112,
262, 400–402, 404, 406, 409, 410, 412,
414, 415, 417, 422–425, 427–429, 441, 559
Butadiene, 347, 350, 351, 353, 519
C
Carbon bonding, 514
Carbon dioxide (CO 2 ), 212, 213
Catastrophe theory, 32, 530, 531, 549
Catchment region, 252, 253
Charge Displacement Function (CD), 464, 465,
468, 469, 471–483
Chemical graph, 17, 55, 66, 71, 84
Chemical transferability, 262
Chevron, 313, 314
Conjugated circuit, 302, 305
Connectivity matrix, 54, 66
Continuous chemical topology, 8
Cooperativity, 463, 464, 475, 477–479, 481,
483
Cubane, 200–202, 204, 219
Current density, 17, 152, 154, 155–167, 180,
182, 188, 190, 192, 193, 200, 205, 207,
208, 218, 219, 221
Current susceptibility, 162, 164
Cyclobutadiene, 214, 326, 327
Cyclobutene, 519
Cyclopropane, 108, 197, 198, 219
D
Delocalization Index (DI), 54, 57, 105, 134,
575
Deoxyribonucleic Acid (DNA), 426, 506–508,
522
© Springer International Publishing Switzerland 2016
R. Chauvin et al. (eds.), Applications of Topological Methods
in Molecular Chemistry, Challenges and Advances in Computational
Chemistry and Physics 22, DOI 10.1007/978-3-319-29022-5
583
A
Acetylene, 215–217, 408, 409, 422, 424
Acrolein, 343, 344
Allyl cation, 348, 350
[n]Annulenes (C n H n ), 105
Antiaromaticity, 213, 322, 323
Antiferromagnetic, 121, 363, 372, 374, 376,
378, 380, 381, 390, 392
Anthracene, 370, 373
Aromatic Fluctuation Index (FLU), 71, 73–75,
322
Aromaticity, 7, 17, 48, 70, 71, 73–75,
104–108, 112, 113, 197, 199, 213, 259,
301, 304, 305, 308–312, 321, 322, 323,
326–329, 331, 332, 356, 493
δ-Aromaticity, 321
σ-Aromaticity, 197, 199
Astatine, 555
B
Baird’s rule, 326, 327, 332
Benzene, 3, 70, 71, 73–75, 106, 107, 110, 123,
191, 200, 217, 297, 298, 322–324, 326,
327, 330, 331, 347, 350–353, 362, 367,
382, 386, 403, 419–421, 423, 424, 495,
498, 500, 503–505, 508
Benzenoid, 71, 73, 106, 297–302, 305–308,
311, 313, 314
Benzoic acid, 63, 68–70
Benzopyrene, 299, 301–303
Beryllium bond, 464, 465, 467, 468, 471, 472,
475, 476, 479, 480, 481, 483
Bifurcations, 170, 171, 193, 200
Binary complexes, 465, 466, 469, 472,
476–480, 482, 483
Biphenyl, 106
1,4-Biphenylenedione, 357, 359
Bisanthrene, 309–313
Bond Critical Point (BCP), 28–30, 33, 37, 54,
66, 400, 404, 422, 424, 425, 430, 463
Bond path, 16, 28, 54–57, 67, 104, 105, 112,
262, 400–402, 404, 406, 409, 410, 412,
414, 415, 417, 422–425, 427–429, 441, 559
Butadiene, 347, 350, 351, 353, 519
C
Carbon bonding, 514
Carbon dioxide (CO 2 ), 212, 213
Catastrophe theory, 32, 530, 531, 549
Catchment region, 252, 253
Charge Displacement Function (CD), 464, 465,
468, 469, 471–483
Chemical graph, 17, 55, 66, 71, 84
Chemical transferability, 262
Chevron, 313, 314
Conjugated circuit, 302, 305
Connectivity matrix, 54, 66
Continuous chemical topology, 8
Cooperativity, 463, 464, 475, 477–479, 481,
483
Cubane, 200–202, 204, 219
Current density, 17, 152, 154, 155–167, 180,
182, 188, 190, 192, 193, 200, 205, 207,
208, 218, 219, 221
Current susceptibility, 162, 164
Cyclobutadiene, 214, 326, 327
Cyclobutene, 519
Cyclopropane, 108, 197, 198, 219
D
Delocalization Index (DI), 54, 57, 105, 134,
575
Deoxyribonucleic Acid (DNA), 426, 506–508,
522
© Springer International Publishing Switzerland 2016
R. Chauvin et al. (eds.), Applications of Topological Methods
in Molecular Chemistry, Challenges and Advances in Computational
Chemistry and Physics 22, DOI 10.1007/978-3-319-29022-5
583