-
1
-
-
8544254107
-
Structural Determination of Paraffin Boiling Points
-
Wiener, H. Structural Determination of Paraffin Boiling Points. J. Am. Chem. Soc. 1947, 69, 17-20. Relation of the Physical Properties of the Isomeric Alkanes to Molecular Structure. J. Phys. Chem, 1948, 52, 1082-1089.
-
(1947)
J. Am. Chem. Soc.
, vol.69
, pp. 17-20
-
-
Wiener, H.1
-
2
-
-
0001004896
-
Relation of the Physical Properties of the Isomeric Alkanes to Molecular Structure
-
Wiener, H. Structural Determination of Paraffin Boiling Points. J. Am. Chem. Soc. 1947, 69, 17-20. Relation of the Physical Properties of the Isomeric Alkanes to Molecular Structure. J. Phys. Chem, 1948, 52, 1082-1089.
-
(1948)
J. Phys. Chem
, vol.52
, pp. 1082-1089
-
-
-
3
-
-
0001219776
-
Topological Index: A Newly Proposed Quantity Characterizing the Topological Nature of Structured Isomers of Saturated Hydrocarbons
-
Hosoya, H. Topological Index: A Newly Proposed Quantity Characterizing the Topological Nature of Structured Isomers of Saturated Hydrocarbons. Bull. Chem. Soc. Jpn. 1971, 44, 2332-2339.
-
(1971)
Bull. Chem. Soc. Jpn.
, vol.44
, pp. 2332-2339
-
-
Hosoya, H.1
-
4
-
-
0343071989
-
Information Theory, Distance matrix, and Molecular Branching
-
Bonchev, D.; Trinajstić, N. Information Theory, Distance matrix, and Molecular Branching. J. Chem. Phys. 1977, 67, 4517-4533.
-
(1977)
J. Chem. Phys.
, vol.67
, pp. 4517-4533
-
-
Bonchev, D.1
Trinajstić, N.2
-
5
-
-
84987080974
-
On Topological Characterization of Molecular Branching
-
Bonchev, D.; Trinajstić, N. On Topological Characterization of Molecular Branching. Intern. J. Quantum Chem. Symp. 1978, 12, 293-303.
-
(1978)
Intern. J. Quantum Chem. Symp.
, vol.12
, pp. 293-303
-
-
Bonchev, D.1
Trinajstić, N.2
-
6
-
-
84987142269
-
Topological Characterization of Cyclic Structures
-
Bonchev, D.; Mekenyan, O.; Trinajstić, N. Topological Characterization of Cyclic Structures. Int. J. Quantum Chem. 1980, 17, 845-893.
-
(1980)
Int. J. Quantum Chem.
, vol.17
, pp. 845-893
-
-
Bonchev, D.1
Mekenyan, O.2
Trinajstić, N.3
-
7
-
-
84984062485
-
On Algebraic Characterization of Bridged Polycyclic Compounds
-
Mekenyan, O.; Bonchev, D.; Trinajstić, N. On Algebraic Characterization of Bridged Polycyclic Compounds. Int. J. Quantum Chem. 1981, 19, 929-955.
-
(1981)
Int. J. Quantum Chem.
, vol.19
, pp. 929-955
-
-
Mekenyan, O.1
Bonchev, D.2
Trinajstić, N.3
-
8
-
-
0011992709
-
A Topological Characterization of Cyclic Structures with Acyclic Branches
-
Mekenyan, O.; Bonchev, D.; Trinajstić, N. A Topological Characterization of Cyclic Structures With Acyclic Branches. MATCH 1981, 11, 145-168.
-
(1981)
MATCH
, vol.11
, pp. 145-168
-
-
Mekenyan, O.1
Bonchev, D.2
Trinajstić, N.3
-
9
-
-
0000520634
-
Structural Complexity and Molecular Properties of Cyclic Molecules with Acyclic Branches
-
Mekenyan, O.; Bonchev, D.; Trinajstić, N. Structural Complexity and Molecular Properties of Cyclic Molecules With Acyclic Branches. Croat. Chem. Acta 1983, 56, 237-261.
-
(1983)
Croat. Chem. Acta
, vol.56
, pp. 237-261
-
-
Mekenyan, O.1
Bonchev, D.2
Trinajstić, N.3
-
10
-
-
0000273659
-
Topological Order in Molecules. I. Molecular Branching Revisited
-
Bonchev, D. Topological Order in Molecules. 1. Molecular Branching Revisited. Theochem 1995, 336, 137-156.
-
(1995)
Theochem
, vol.336
, pp. 137-156
-
-
Bonchev, D.1
-
11
-
-
33847087299
-
Generalization of the Graph Center Concept, and Derived Topological Indexes
-
Bonchev, D.; Balaban A. T.; Mekenyan, O. Generalization of the Graph Center Concept, and Derived Topological Indexes, J. Chem. Inf. Comput. Sci. 1980, 20, 106-113.
-
(1980)
J. Chem. Inf. Comput. Sci.
, vol.20
, pp. 106-113
-
-
Bonchev, D.1
Balaban, A.T.2
Mekenyan, O.3
-
12
-
-
84983951952
-
The Graph Center Concept for Polycyclic Graphs
-
Bonchev, D.; Balaban, A. T.; Randić, M. The Graph Center Concept for Polycyclic Graphs. Intern. J. Quantum Chem. 1981, 19, 61-82.
-
(1981)
Intern. J. Quantum Chem.
, vol.19
, pp. 61-82
-
-
Bonchev, D.1
Balaban, A.T.2
Randić, M.3
-
13
-
-
0011965899
-
The Concept for the Center of a Chemical Structure and Its Applications
-
Bonchev, D. The Concept for the Center of a Chemical Structure and Its Applications. Theochem 1989, 185, 155-168.
-
(1989)
Theochem
, vol.185
, pp. 155-168
-
-
Bonchev, D.1
-
14
-
-
0011951920
-
Topological/Chemical Distances and Graph Centers in Molecular Graphs with Multiple Bonds
-
Balaban, A. T.; Bonchev, D.; Seitz, W. A. Topological/Chemical Distances and Graph Centers in Molecular Graphs With Multiple Bonds, Theochem 1992, 280, 253-260.
-
(1992)
Theochem
, vol.280
, pp. 253-260
-
-
Balaban, A.T.1
Bonchev, D.2
Seitz, W.A.3
-
15
-
-
0002575209
-
An Approach to the Topological Modeling of Crystal Growth
-
Bonchev, D.; Mekenyan, O.; Fritsche, H. An Approach to the Topological Modeling of Crystal Growth. J. Cryst. Growth 1980, 49, 90-96.
-
(1980)
J. Cryst. Growth
, vol.49
, pp. 90-96
-
-
Bonchev, D.1
Mekenyan, O.2
Fritsche, H.3
-
16
-
-
0018516168
-
Topological Approach to Crystal Vacancy Studies. I
-
Bonchev, D.; Mekenyan, O.; Fritsche, H. A Topological Approach to Crystal Vacancy Studies. I. Phys. Stat. Sol. (a) 1979, 55, 181-187.
-
(1979)
Phys. Stat. Sol. (A)
, vol.55
, pp. 181-187
-
-
Bonchev, D.1
Mekenyan, O.2
Fritsche, H.A.3
-
17
-
-
0018736755
-
Topological Approach to Crystal Vacancy Studies. II
-
Mekenyan, O.; Bonchev, D.; Fritsche, H. A Topological Approach to Crystal Vacancy Studies. II. Phys. Stat. Sol. (a) 1979, 56, 607-614.
-
(1979)
Phys. Stat. Sol. (A)
, vol.56
, pp. 607-614
-
-
Mekenyan, O.1
Bonchev, D.2
Fritsche, H.A.3
-
18
-
-
0011927977
-
Topological Approach to Crystal Defect Studies
-
Mekenyan, O.; Bonchev, D.; Fritsche, H. A Topological Approach to Crystal Defect Studies. Z. Phys. Chem. (Leipzig) 1984, 265, 959-967.
-
(1984)
Z. Phys. Chem. (Leipzig)
, vol.265
, pp. 959-967
-
-
Mekenyan, O.1
Bonchev, D.2
Fritsche, H.A.3
-
19
-
-
0011992710
-
The Optimum Topology of Small Clusters
-
Fritsche, H.-G.; Bonchev, D.; Mekenyan, O. The Optimum Topology of Small Clusters. Z. Phys. Chem. (Leipzig) 1989, 270, 467-476.
-
(1989)
Z. Phys. Chem. (Leipzig)
, vol.270
, pp. 467-476
-
-
Fritsche, H.-G.1
Bonchev, D.2
Mekenyan, O.3
-
20
-
-
0000018383
-
Topological Approach to the Calculation of the π-Electron Energy and Energy Gap of Infinite Conjugated Polymers
-
Bonchev, D.; Mekenyan, O. A Topological Approach to the Calculation of the π-Electron Energy and Energy Gap of Infinite Conjugated Polymers. Z. Naturforsch. 1980, 35a, 739-747.
-
(1980)
Z. Naturforsch.
, vol.35 A
, pp. 739-747
-
-
Bonchev, D.1
Mekenyan, O.A.2
-
21
-
-
0001307918
-
Topological Approach to the Predicting of the Electron Energy Characteristics of Conjugated Infinite Polymers. II. PPP-Calculations
-
Bonchev, D.; Mekenyan, O.; Polansky, O. E. A Topological Approach to the Predicting of the Electron Energy Characteristics of Conjugated Infinite Polymers. II. PPP-Calculations, Z. Naturforsch. 1981, 36a, 643-646.
-
(1981)
Z. Naturforsch.
, vol.36 A
, pp. 643-646
-
-
Bonchev, D.1
Mekenyan, O.2
Polansky, O.E.A.3
-
22
-
-
0001307919
-
The Influence of Some Structural Modifications of Polymers
-
Bonchev, D.; Mekenyan, O.; Polansky. O, E., III. The Influence of Some Structural Modifications of Polymers. Z. Naturforsch. 1981, 36a, 647-650.
-
(1981)
Z. Naturforsch.
, vol.36 A
, pp. 647-650
-
-
Bonchev, D.1
Mekenyan, O.2
Polansky O.E. III3
-
23
-
-
0000029225
-
Graph-Theoretical Approach to the Calculation of Physico-Chemical Properties of Polymers
-
Mekenyan. O.; Dimitrov, S.; Bonchev, D. Graph-Theoretical Approach to the Calculation of Physico-Chemical Properties of Polymers. Eur. Polymer J. 1983, 12, 1185-1193.
-
(1983)
Eur. Polymer J.
, vol.12
, pp. 1185-1193
-
-
Mekenyan, O.1
Dimitrov, S.2
Bonchev, D.3
-
24
-
-
0000261107
-
Topological Approach to the Modeling of Polymer Properties (the TEMPO Method)
-
Bonchev, D.; Mekenyan, O.; Kamenska, V. A Topological Approach to the Modeling of Polymer Properties (The TEMPO Method). J. Math. Chem. 1992, 11, 107-132.
-
(1992)
J. Math. Chem.
, vol.11
, pp. 107-132
-
-
Bonchev, D.1
Mekenyan, O.2
Kamenska, V.A.3
-
25
-
-
0346328515
-
Topological Approach to the Predicting of Properties of Infinite Polymers. VI. Rational Formulas for the Normalized Wiener Index and a Comparison with Index
-
in press
-
Balaban, T.-S.; Balaban, A. T.; Bonchev, D. A Topological Approach to the Predicting of Properties of Infinite Polymers. VI. Rational Formulas for the Normalized Wiener Index and a Comparison with Index J. Theochem 2000, (in press).
-
(2000)
J. Theochem
-
-
Balaban, T.-S.1
Balaban, A.T.2
Bonchev, D.A.3
-
26
-
-
0025658802
-
The Microcomputer OASIS System for Predicting the Biological Activity of Chemical Compounds
-
Mekenyan, O.; Karabunarliev, S.; Bonchev, D. The Microcomputer OASIS System for Predicting the Biological Activity of Chemical Compounds, Comput. Chem. 1990, 14, 193-200.
-
(1990)
Comput. Chem.
, vol.14
, pp. 193-200
-
-
Mekenyan, O.1
Karabunarliev, S.2
Bonchev, D.3
-
27
-
-
0346958436
-
-
MolconnZ.
-
MolconnZ. http://www.eslc.vabiotech.com/molconn/manuals/.
-
-
-
-
28
-
-
0000152720
-
The Theory of Wiener Number
-
Polansky, O. E.; Bonchev, D. The Theory of Wiener Number, MATCH 1986, 21, 133-186.
-
(1986)
MATCH
, vol.21
, pp. 133-186
-
-
Polansky, O.E.1
Bonchev, D.2
-
29
-
-
0002402010
-
Theory of the Wiener Number of Graphs. II. Transfer Graphs and Some of Their Metric Properties
-
Polansky, O. E.; Bonchev, D. Theory of the Wiener Number of Graphs. II. Transfer Graphs and Some of Their Metric Properties. MATCH 1990, 25, 3-40.
-
(1990)
MATCH
, vol.25
, pp. 3-40
-
-
Polansky, O.E.1
Bonchev, D.2
-
30
-
-
0002724355
-
The Role of Topological Distance Matrix in Chemistry
-
Trinajstić, N., Ed.; Ellis Horwood: Chichester, U.K.
-
Rouvray, D. H. The Role of Topological Distance Matrix in Chemistry. In Mathematical and Computational Concepts in Chemistry; Trinajstić, N., Ed.; Ellis Horwood: Chichester, U.K., 1986; pp 295-306.
-
(1986)
Mathematical and Computational Concepts in Chemistry
, pp. 295-306
-
-
Rouvray, D.H.1
-
31
-
-
0000958261
-
Some Results in the Theory of the Wiener Number
-
Gutman, I.; Yeh, Y.-N.; Lee, S.-L.; Luo, Y.-L. Some Results in the Theory of the Wiener Number. Ind. J. Chem. 1993, 32A, 651-661.
-
(1993)
Ind. J. Chem.
, vol.32 A
, pp. 651-661
-
-
Gutman, I.1
Yeh, Y.-N.2
Lee, S.-L.3
Luo, Y.-L.4
-
32
-
-
0000257423
-
The Wiener Number: Development and Application
-
Nikolić, S.; Trinajstić, N.; Mihalić, Z. The Wiener Number: Development and Application. Croat. Chem. Acta 1995, 68, 105-129.
-
(1995)
Croat. Chem. Acta
, vol.68
, pp. 105-129
-
-
Nikolić, S.1
Trinajstić, N.2
Mihalić, Z.3
-
33
-
-
84986468712
-
Combinatorial Models and Algorithms in Chemistry. the Expanded Wiener Number - A Novel Topological Index
-
Tratch, S. S.; Stankevich, M. I.; Zefirov, N. S. Combinatorial Models and Algorithms in Chemistry. The Expanded Wiener Number - A Novel Topological Index. J. Comput. Chem. 1990, 11, 899-908.
-
(1990)
J. Comput. Chem.
, vol.11
, pp. 899-908
-
-
Tratch, S.S.1
Stankevich, M.I.2
Zefirov, N.S.3
-
35
-
-
0000984584
-
Molecular Descriptors for Structure-Property Studies
-
Randić, M. Molecular Descriptors for Structure-Property Studies. Chem. Phys. Lett. 1993, 211, 478-483.
-
(1993)
Chem. Phys. Lett.
, vol.211
, pp. 478-483
-
-
Randić, M.1
-
36
-
-
0029229739
-
On the Definition of the Hyper-Wiener Index for Cycle-Containing Structures
-
Klein, D. J.; Lukovits; Gutman, I. On the Definition of the Hyper-Wiener Index for Cycle-Containing Structures, J. Chem. Inf. Comput. Sci. 1995, 35, 50-52.
-
(1995)
J. Chem. Inf. Comput. Sci.
, vol.35
, pp. 50-52
-
-
Klein, D.J.1
Lukovits2
Gutman, I.3
-
37
-
-
0002345564
-
Formula for the Wiener Number of Trees and Its Extension to Graphs Containing Cycles
-
Gutman, I. Formula for the Wiener Number of Trees and Its Extension to Graphs Containing Cycles. Graph Theory Notes, NYAS 1994, 27, 9-15.
-
(1994)
Graph Theory Notes, NYAS
, vol.27
, pp. 9-15
-
-
Gutman, I.1
-
39
-
-
84987102119
-
Molecular Cyclicity and Centricity of Polycyclic Graphs. I. Cyclicity Based on Resistance Distances or Reciprocal Distances
-
Bonchev, D.; Balaban, A. T.; Liu, X.; Klein, D. J. Molecular Cyclicity and Centricity of Polycyclic Graphs. I. Cyclicity Based on Resistance Distances or Reciprocal Distances. Int. J. Quantum Chem. 1994, 50, 1-20.
-
(1994)
Int. J. Quantum Chem.
, vol.50
, pp. 1-20
-
-
Bonchev, D.1
Balaban, A.T.2
Liu, X.3
Klein, D.J.4
-
40
-
-
0001574546
-
Extensions of the Wiener Number
-
Zhu, H.-Y.; Klein, D. J.; Lukovitz, I. Extensions of the Wiener Number. J. Chem. Inf. Comput. Sci. 1996, 36, 420-428.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 420-428
-
-
Zhu, H.-Y.1
Klein, D.J.2
Lukovitz, I.3
-
41
-
-
0001216057
-
The Laplacian Spectrum of Graphs
-
Alavi, Y., Chartrand, C., Ollermann, O. R., Schwenk, A. J., Eds.; John Wiley & Sons: New York
-
Mohar, B. The Laplacian Spectrum of Graphs. In Graph Theory, Combinatorics, and Applications; Alavi, Y., Chartrand, C., Ollermann, O. R., Schwenk, A. J., Eds.; John Wiley & Sons: New York 1991; pp 871-898.
-
(1991)
Graph Theory, Combinatorics, and Applications
, pp. 871-898
-
-
Mohar, B.1
-
42
-
-
0028401144
-
The Laplacian Matrix in Chemistry
-
Trinajstić, N.; Babić, D.; Nikolić, S.; Plavšić, D.; Amić, D.; Mihalić, Z. The Laplacian Matrix in Chemistry J. Chem. Inf. Comput. Sci. 1994, 34, 368-376.
-
(1994)
J. Chem. Inf. Comput. Sci.
, vol.34
, pp. 368-376
-
-
Trinajstić, N.1
Babić, D.2
Nikolić, S.3
Plavšić, D.4
Amić, D.5
Mihalić, Z.6
-
43
-
-
0000437618
-
A Novel Definition of the Wiener Number for Trees. N
-
Mohar, B.; Babić, D.; Trinajstić, A Novel Definition of the Wiener Number for Trees. N. J. Chem. Inf. Comput. Sci. 1993, 33, 153-154.
-
(1993)
J. Chem. Inf. Comput. Sci.
, vol.33
, pp. 153-154
-
-
Mohar, B.1
Babić, D.2
Trinajstić3
-
44
-
-
0000110023
-
Kolmogorov's Information, Shannon's entropy, and Topological Complexity of Molecules
-
Bonchev, D. Kolmogorov's Information, Shannon's entropy, and Topological Complexity of Molecules. Bulg. Chem. Commun. 1995, 28, 567-582.
-
(1995)
Bulg. Chem. Commun.
, vol.28
, pp. 567-582
-
-
Bonchev, D.1
-
45
-
-
0002398590
-
Novel Indices for the topological complexity of molecules
-
Bonchev, D. Novel Indices for the topological complexity of molecules. SAR/QSAR Envir. Res. 1997, 7, 23-44.
-
(1997)
SAR/QSAR Envir. Res.
, vol.7
, pp. 23-44
-
-
Bonchev, D.1
-
46
-
-
0001822434
-
Overall Connectivity and Topological Complexity: A New Tool for QSPR/QSAR
-
Devillers, J., Balaban, A. T., Eds.; Gordon and Breach: The Netherlands
-
Bonchev, D. Overall Connectivity and Topological Complexity: A New Tool for QSPR/QSAR. In Topological Indices and Related Descriptors in QSAR and QSPR. Devillers, J., Balaban, A. T., Eds.; Gordon and Breach: The Netherlands, 1999; pp 361-401.
-
(1999)
Topological Indices and Related Descriptors in QSAR and QSPR.
, pp. 361-401
-
-
Bonchev, D.1
-
47
-
-
0001186084
-
Overall Connectivities/Topological Complexities: A New Powerful Tool for QSPR/QSAR
-
Bonchev, D. Overall Connectivities/Topological Complexities: A New Powerful Tool for QSPR/QSAR. J. Chem. Inf. Comput. Sci. 2000, 40, 934-941.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 934-941
-
-
Bonchev, D.1
-
48
-
-
0013691469
-
Application of the Theory of Graphs to Calculation of the Additive Structural Properties of Hydrocarbons
-
Smolenski, E. A, Application of the Theory of Graphs to Calculation of the Additive Structural Properties of Hydrocarbons. Russ. J. Phys. Chem. 1964, 38, 700-704.
-
(1964)
Russ. J. Phys. Chem.
, vol.38
, pp. 700-704
-
-
Smolenski, E.A.1
-
49
-
-
0000328436
-
The Graph-Like State of Matter, Part 2, TCGI Schemes for the Thermodynamics of Alkanes and the Theory of Inductive Inference
-
Gordon, M.; Kennedy, J. W. The Graph-Like State of Matter, Part 2, TCGI Schemes for the Thermodynamics of Alkanes and the Theory of Inductive Inference. J. Chem. Soc., Faraday Trans. 2 1973, 69, 484-504.
-
(1973)
J. Chem. Soc., Faraday Trans. 2
, vol.69
, pp. 484-504
-
-
Gordon, M.1
Kennedy, J.W.2
-
50
-
-
84987112015
-
Chemical Graph-Theoretic Cluster-Expansions
-
Klein, D. J. Chemical Graph-Theoretic Cluster-Expansions. Int. J. Quantum Chem. 1986, S20, 153-171.
-
(1986)
Int. J. Quantum Chem.
, vol.S20
, pp. 153-171
-
-
Klein, D.J.1
-
51
-
-
0016771380
-
Molecular Connectivity. I: Relationship to Nonspecific Local Anesthesia
-
Kier, L. B.; Hall, L. H.; Murray, W. J.; Randić, M. Molecular Connectivity. I: Relationship to Nonspecific Local Anesthesia. J. Pharm. Sci. 1975, 64, 1971-1974.
-
(1975)
J. Pharm. Sci.
, vol.64
, pp. 1971-1974
-
-
Kier, L.B.1
Hall, L.H.2
Murray, W.J.3
Randić, M.4
-
54
-
-
0001486089
-
On the Zagreb Indices As Complexity Indices
-
Nikolić, S.; Tolić, I. M.; Trinajstić, N.; Baučić, I. On the Zagreb Indices As Complexity Indices, Croat. Chem. Acta 2000, 73, 909-921.
-
(2000)
Croat. Chem. Acta
, vol.73
, pp. 909-921
-
-
Nikolić, S.1
Tolić, I.M.2
Trinajstić, N.3
Baučić, I.4
-
55
-
-
36749120371
-
Graph Theory and Molecular Orbitals. 12. Acyclic Polyenes
-
Gutman, I.; Rušćić, B.; Trinajstić, N.; Wilcox, C. W., Jr. Graph Theory and Molecular Orbitals. 12. Acyclic Polyenes. J. Chem. Phys. 1975, 62, 3399-3405.
-
(1975)
J. Chem. Phys.
, vol.62
, pp. 3399-3405
-
-
Gutman, I.1
Rušćić, B.2
Trinajstić, N.3
Wilcox C.W., Jr.4
-
56
-
-
0000524226
-
The First General Index of Molecular Complexity
-
Bertz, S. H. The First General Index of Molecular Complexity. J. Am. Chem. Soc. 1981, 103, 3599-3601.
-
(1981)
J. Am. Chem. Soc.
, vol.103
, pp. 3599-3601
-
-
Bertz, S.H.1
-
57
-
-
0001787983
-
A Mathematical Model of Molecular Complexity
-
King, R. B., Ed.; Elsevier: New York
-
Bertz, S. H. A Mathematical Model of Molecular Complexity. In Chemical Applications of Topology and Graph Theory; King, R. B., Ed.; Elsevier: New York, 1983; pp 206-221.
-
(1983)
Chemical Applications of Topology and Graph Theory
, pp. 206-221
-
-
Bertz, S.H.1
-
58
-
-
0001588769
-
On the Topological Complexity of Chemical Systems
-
King, R. B., Rouvray, D. H., Eds.; Elsevier: Amsterdam
-
Bonchev, D.; Polansky, O. E. On the Topological Complexity of Chemical Systems. In Graph Theory and Topology in Chemistry, King, R. B., Rouvray, D. H., Eds.; Elsevier: Amsterdam, 1987: pp 126-158.
-
(1987)
Graph Theory and Topology in Chemistry
, pp. 126-158
-
-
Bonchev, D.1
Polansky, O.E.2
-
59
-
-
0002531454
-
The Problems of Computing Molecular Complexity
-
Rouvray, D. H., Ed.; Nova Publications: New York
-
Bonchev, D. The Problems of Computing Molecular Complexity. In Computational Chemical Graph Theory; Rouvray, D. H., Ed.; Nova Publications: New York, 1990; pp 34-67.
-
(1990)
Computational Chemical Graph Theory
, pp. 34-67
-
-
Bonchev, D.1
-
60
-
-
0002330903
-
Rigorous Mathematical Approaches to Strategic Bonds and Synthetic Analysis Based on Conceptually Simple New Complexity Indices
-
Bertz, S. H.; Sommer, T. J. Rigorous Mathematical Approaches to Strategic Bonds and Synthetic Analysis Based on Conceptually Simple New Complexity Indices. Chem. Commun. 1997, 2409-2410.
-
(1997)
Chem. Commun.
, pp. 2409-2410
-
-
Bertz, S.H.1
Sommer, T.J.2
-
61
-
-
0002525670
-
Walk Counts, Labyrinthicity, und Complexity of Acyclic and Cyclic Graphs and Molecules
-
Rücker, G.; Rücker, C. Walk Counts, Labyrinthicity, und Complexity of Acyclic and Cyclic Graphs and Molecules. J. Chem. Inf. Comput. Sci. 2000, 40, 99-106.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 99-106
-
-
Rücker, G.1
Rücker, C.2
-
62
-
-
0024034894
-
Molecular Modeling of the Physical Properties of the Alkanes
-
Needham, D. E.; Wei, I.-C.; Seybold, P. G. Molecular Modeling of the Physical Properties of the Alkanes. J. Am. Chem. Soc. 1988, 110, 4186-4194.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 4186-4194
-
-
Needham, D.E.1
Wei, I.-C.2
Seybold, P.G.3
-
64
-
-
0002104628
-
Optimum Graph-Theoretical Models for Enthalpic Properties of Alkanes
-
Garbalena, M.; Herndon, W. C. Optimum Graph-Theoretical Models for Enthalpic Properties of Alkanes. J. Chem. Inf. Comput. Sci. 1992, 32, 37-42.
-
(1992)
J. Chem. Inf. Comput. Sci.
, vol.32
, pp. 37-42
-
-
Garbalena, M.1
Herndon, W.C.2
-
65
-
-
0035238302
-
Overall Molecular Descriptors. 3. Overall Zagreb Indices
-
in press
-
Bonchev, D.; Trinajstić, N. Overall Molecular Descriptors. 3. Overall Zagreb Indices. SAR/QSAR Envir. Res., in press.
-
SAR/QSAR Envir. Res.
-
-
Bonchev, D.1
Trinajstić, N.2
-
66
-
-
0000663216
-
Viewpoint 4. Comparative Structure-Property Studies: The Connectivity Basis
-
Randić, M.; Trinajstić, N. Viewpoint 4. Comparative Structure-Property Studies: The Connectivity Basis. J. Mol. Struct. (THEOCHEM) 1993, 284, 209-221.
-
(1993)
J. Mol. Struct. (THEOCHEM)
, vol.284
, pp. 209-221
-
-
Randić, M.1
Trinajstić, N.2
-
67
-
-
0001616481
-
In Search for Graph Invariants of Chemical Interest
-
Randić, M.; Trinajstić, In Search for Graph Invariants of Chemical Interest. J. Mol. Struct. (THEOCHEM) 1993, 300, 551-572.
-
(1993)
J. Mol. Struct. (THEOCHEM)
, vol.300
, pp. 551-572
-
-
Randić, M.1
Trinajstić2
-
68
-
-
0000680194
-
Generalized Molecular Descriptors
-
Randić, M. Generalized Molecular Descriptors. J. Math. Chem. 1991, 7, 155-168.
-
(1991)
J. Math. Chem.
, vol.7
, pp. 155-168
-
-
Randić, M.1
-
69
-
-
0000738031
-
Edge-Connectivity Indices in QSPR/QSAR Studies. I. Comparison to Other Topological Indices in QSPR Studies
-
Estrada, E.; Rodriguez, L. Edge-Connectivity Indices in QSPR/QSAR Studies. I. Comparison to Other Topological Indices in QSPR Studies. J. Chem. Inf. Comput. Sci. 1999, 39, 1037-1041.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 1037-1041
-
-
Estrada, E.1
Rodriguez, L.2
-
70
-
-
0347589564
-
-
private communication
-
Ivanciuc, O., private communication.
-
-
-
Ivanciuc, O.1
-
71
-
-
0000738030
-
Edge-Connectivity Indices in QSPR/QSAR Studies. 2. Accounting for Long-Range Bond Contributions
-
Estrada, E.; Edge-Connectivity Indices in QSPR/QSAR Studies. 2.Accounting for Long-Range Bond Contributions. J. Chem. Inf. Comput. Sci. 1999, 39, 1042-1048.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 1042-1048
-
-
Estrada, E.1
-
72
-
-
0011985677
-
On Finding Nonisomorphic Connected Subgraphs and Distinct Molecular Substructures
-
in press
-
Rücker, G.; Rücker, C. On Finding Nonisomorphic Connected Subgraphs and Distinct Molecular Substructures. J. Chem. Inf. Comput. Sci. 2000, in press.
-
(2000)
J. Chem. Inf. Comput. Sci.
-
-
Rücker, G.1
Rücker, C.2
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