|
87
, 2046-8.
Hückel, E.: 1931, ‘Quantentheoretische Beitrage zum Benzolproblem’,
Zeitschrift für
Physik,
70
, 204-86.
Klein, D.J. & Trinajstić, N.: 1990,
Valence bond theory and chemical structure
, Amster-
dam: Elsevier, pp. 1-629.
Linderberg, J. & Öhrn, Y.: 1968, ‘Derivation and analysis of the Pariser-Parr-Pople
model’,
Journal of Chemical Physics
,
49
, 716-27.
Longuet, H.C.: 1950a, ‘Some studies in molecular orbital theory I. Resonance struc-
tures and molecular orbitals in unsaturated hydrocarbons’,
Journal of Chemical
Physics
,
18
, 265-74.
Longuet, H.C.: 1950b, ‘Some studies in molecular orbital theory II. Ionization con-
stants in heteroaromatic amines and related compounds’,
Journal of Chemical
Physics
,
18
, 275-82.
Longuet, H.C.: 1950c, ‘Some studies in molecular orbital theory III. Substitution in
aromatic and heteroaromatic systems’,
Journal of Chemical Physics
,
18
, 283-91.
Parisier, R. & Parr, R.G.: 1953, ‘A semi-empirical theory of the electronic spectra and
electronic structure of complex unsaturated molecules: I’,
Journal of Chemical
Physics,
21
, 466-71.
Parr, R.G.: 1964,
The quantum theory of molecular electronic structure
, New York: W.
A. Benjamin, pp. 1-374.
Pauling, L.: 1933a, ‘The calculation of matrix elements for Lewis electronic structures
of molecules’,
Journal of Chemical Physics
,
1
, 280-3.
Pauling, L. & Wheland, G.W.: 1933b, ‘The nature of the chemical bond. V. The quan-
tum-mechanical calculation of the resonance energy of benzene and naphtha-
lene and the hydrocarbon free radicals’,
Journal of Chemical Physics
,
1
, 362-74.
Pople, J.A.: 1955, ‘The electronic spectra of aromatic molecules. II: A theoretical
treatment of excited states of alternant hydrocarbon molecules based on self-
consistent molecular orbitals’,
Proceedings of the Physical Society,
68
, 81-9.
Ruedenberg, K. & Scherr, C.W.: 1953, ‘Free-electron network model for conjugated
systems. I. Theory’,
Journal of Chemical Physics,
21
, 1565-81.
Shaik, S.S. & Hiberty, P.C.: 2007,
A chemist’s guide to valence bond theory,
New York:
Wiley, pp. 1-316.
Woodward, R.B. & Hoffmann, R.: 1965a, ‘Stereochemistry of electrocyclic reactions’,
Journal of the American Chemical Society
,
87
, 395-7.
Woodward, R.B. & Hoffmann, R.: 1965b, ‘Selection rules for sigmatropic reactions’,
Journal of the American Chemical Society
,
87
, 2511-3.
Woodward, R.B. & Hoffmann, R.: 1970,
The conservation of orbital symmetry,
Wein-
heim: VCH, pp. 1-177.
19. Structure generation & enumeration
Balasubramanian, K.: 1981, ‘The combinatorics of symmetry adaptation’,
Theoretica
Chimica Acta
,
59
, 47-54.
Balasubramanian, K.: 1985, ‘Applications of combinatorics and graph theory to spec-
troscopy and quantum chemistry’,
Chemical Reviews
,
85
, 599-18.
Balasubramanian, K.: 1993, ‘Generalization of de Bruijn’s extension of Pólya’s theo-
rem to all characters’,
Journal of Mathematical Chemistry,
14
, 113-20.
Benecke, C.; Gruner, T.; Kerber, A.; Laue, R. & Wieland, T.: 1997, ‘Molecular struc-
ture generation with MOLGEN’,
Fresenius’ Journal of Analytical Chemistry,
359
, 23-32.
78
Douglas J. Klein
Brocas, J.: 1986, ‘Double cosets and enumeration of permutational isomers of fixed
symmetry’,
Journal of the American Chemical Society
,
108
, 1135-45.
Brown, H. & Masinter, L.: 1974, ‘An algorithm for the construction of the graphs of
organic molecules’,
Discrete Mathematics,
8
, 227-44.
Buchanan, B.G. & Lederberg, J.: 1971,
The heuristic dendral program for explaining
empirical data
, Stanford: Stanford University Press, pp. 1-22.
Bytautas, L. & Klein, D.J.: 1998, ‘Chemical combinatorics for alkane-isomer enumera-
tion and more’,
Journal of Chemical Information and Computer Sciences
,
38
,
1063-78.
Bytautas, L. & Klein, D.J.: 1999, ‘Alkane isomer combinatorics: Stereostructure enu-
meration and graph-invariant and molecular-property distributions’,
Journal of
Chemical Information and Computer Sciences
,
39
, 803-18.
Bytautas, L.; Klein, D.J. & Schmalz, T.G.: 2000, ‘All acyclic hydrocarbons: Formula
periodic table and property overlap plots via chemical combinatorics’,
New
Journal of Chemistry
,
24
, 329-36.
Davidson, R.A.: 1981, ‘Isomers and isomerization: Elements of Redfield’s combinato-
rial theory’,
Journal of the American Chemical Society
,
103
, 312-4.
El-Basil, S.: 2000,
Combinatorial organic chemistry: An educational approach,
New
York: Nova Science, pp. 1-238.
Fujita, S.: 1991,
Symmetry and combinatorial enumeration in chemistry
, Berlin: Spring-
er, pp. 1-368.
Gugisch, R.; Kerber, A.; Laue, R.; Meringer, M. & Weidinger, J.: 2000, ‘MOLFEN-
COMB, a software package for combinatorial chemistry’, MATCH Commu-
nications in Mathematical and in Computer Chemistry,
Do'stlaringiz bilan baham: |
