-
1
-
-
33845352210
-
Graph theory and molecular orbitals. The loop rule
-
I. Gutman and N. Trinajstić, Graph theory and molecular orbitals. The loop rule, Chem. Phys. Lett. 17 (1972) 535-538.
-
(1972)
Chem. Phys. Lett.
, vol.17
, pp. 535-538
-
-
Gutman, I.1
Trinajstić, N.2
-
2
-
-
0000957065
-
The evaluation of moments for polycyclic hydrocarbons
-
G. G. Hall, The evaluation of moments for polycyclic hydrocarbons, Theor. Chim. Acta 70 (1986) 323-332.
-
(1986)
Theor. Chim. Acta
, vol.70
, pp. 323-332
-
-
Hall, G.G.1
-
3
-
-
0003137183
-
Evaluation of moments and their application to Hückel molecular orbital theory
-
Y. Jiang, A. Tang and R. Hoffmann, Evaluation of moments and their application to Hückel molecular orbital theory, Theor. Chim. Acta 65 (1984) 255-265.
-
(1984)
Theor. Chim. Acta
, vol.65
, pp. 255-265
-
-
Jiang, Y.1
Tang, A.2
Hoffmann, R.3
-
4
-
-
44949270150
-
Dependence of spectral moments of benzenoid hydrocarbons on molecular structure
-
S. Marković and I. Gutman, Dependence of spectral moments of benzenoid hydrocarbons on molecular structure, J. Mol. Struct. (Theochem) 235 (1991) 81-87.
-
(1991)
J. Mol. Struct. (Theochem)
, vol.235
, pp. 81-87
-
-
Marković, S.1
Gutman, I.2
-
5
-
-
0000068058
-
Spectral moments of the edge adjacency matrix in molecular graphs. 1. Definition and applications to the prediction of physical properties of alkanes
-
E. Estrada, Spectral moments of the edge adjacency matrix in molecular graphs. 1. Definition and applications to the prediction of physical properties of alkanes, J. Chem. Inf. Comput. Sci. 36 (1996) 844-849.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 844-849
-
-
Estrada, E.1
-
6
-
-
0002519128
-
Spectral moments of the edge adjacency matrix in molecular graphs. 3. Molecules containing cycles
-
E. Estrada, Spectral moments of the edge adjacency matrix in molecular graphs. 3. Molecules containing cycles, J. Chem. Inf. Comput. Sci. 38 (1998) 23-27.
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 23-27
-
-
Estrada, E.1
-
7
-
-
0032365583
-
Approximating total π-electron energy in terms of spectral moments. A quantitative approach
-
I. Gutman, S. Marković, A. Vesović and E. Estrada, Approximating total π-electron energy in terms of spectral moments. A quantitative approach, J. Serb. Chem. Soc. 63 (1998) 639-646.
-
(1998)
J. Serb. Chem. Soc.
, vol.63
, pp. 639-646
-
-
Gutman, I.1
Marković, S.2
Vesović, A.3
Estrada, E.4
-
9
-
-
84986506392
-
Random walks and their diagnostic value for characterization of atomic environment
-
M. Randić, Random walks and their diagnostic value for characterization of atomic environment, J. Comput. Chem. 1 (1980) 386-399.
-
(1980)
J. Comput. Chem.
, vol.1
, pp. 386-399
-
-
Randić, M.1
-
11
-
-
0001303824
-
Isocodal and isospectral points, edges, and pairs in graphs and how to cope with them in computerized symmetry recognition
-
G. Rücker and C. Rücker, Isocodal and isospectral points, edges, and pairs in graphs and how to cope with them in computerized symmetry recognition, J. Chem. Inf. Comput. Sci. 31 (1991) 422-427.
-
(1991)
J. Chem. Inf. Comput. Sci.
, vol.31
, pp. 422-427
-
-
Rücker, G.1
Rücker, C.2
-
12
-
-
0001478710
-
Understanding the properties of isospectral points and pairs in graphs: The concept of orthogonal relation
-
C. Rücker and G. Rücker, Understanding the properties of isospectral points and pairs in graphs: The concept of orthogonal relation, J. Math. Chem. 9 (1992) 207-238.
-
(1992)
J. Math. Chem.
, vol.9
, pp. 207-238
-
-
Rücker, C.1
Rücker, G.2
-
13
-
-
0011928678
-
Characterization of chemical structures by the atomic counts of self-returning walks: On the construction of isocodal graphs
-
O. Ivanciuc and A. T. Balaban, Characterization of chemical structures by the atomic counts of self-returning walks: On the construction of isocodal graphs, Croat. Chem. Acta 69 (1996) 63-74.
-
(1996)
Croat. Chem. Acta
, vol.69
, pp. 63-74
-
-
Ivanciuc, O.1
Balaban, A.T.2
-
14
-
-
0001238812
-
Discrimination and ordering of chemical structures by the number of walks
-
M. Razinger, Discrimination and ordering of chemical structures by the number of walks, Theor. Chim. Acta 70 (1986) 365-378.
-
(1986)
Theor. Chim. Acta
, vol.70
, pp. 365-378
-
-
Razinger, M.1
-
15
-
-
0011998189
-
Random walks: Computations and applications to chemistry
-
A. S. Shalabi, Random walks: Computations and applications to chemistry, J. Chem. Inf. Comput. Sci. 31 (1991) 483-491.
-
(1991)
J. Chem. Inf. Comput. Sci.
, vol.31
, pp. 483-491
-
-
Shalabi, A.S.1
-
16
-
-
0027658970
-
Counts of all walks as atomic and molecular descriptors
-
G. Rücker and C. Rücker, Counts of all walks as atomic and molecular descriptors, J. Chem. Inf. Comput. Sci. 33 (1993) 683-695.
-
(1993)
J. Chem. Inf. Comput. Sci.
, vol.33
, pp. 683-695
-
-
Rücker, G.1
Rücker, C.2
-
17
-
-
0028428113
-
Mathematical relation between extended connectivity and eigenvector coefficients
-
C. Rücker and G. Rücker, Mathematical relation between extended connectivity and eigenvector coefficients, J. Chem. Inf. Comput. Sci. 34 (1994) 534-538.
-
(1994)
J. Chem. Inf. Comput. Sci.
, vol.34
, pp. 534-538
-
-
Rücker, C.1
Rücker, G.2
-
18
-
-
0041037845
-
On topological indices, boiling points, and cycloalkanes
-
G. Rücker and C. Rücker, On topological indices, boiling points, and cycloalkanes, J. Chem. Inf. Comput. Sci. 39 (1999) 788-802.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 788-802
-
-
Rücker, G.1
Rücker, C.2
-
19
-
-
0002525670
-
Walk counts, labyrinthicity, and complexity of acyclic and cyclic graphs and molecules
-
G. Rücker and C. Rücker, Walk counts, labyrinthicity, and complexity of acyclic and cyclic graphs and molecules, J. Chem. Inf. Comput. Sci. 40 (2000) 99-106.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 99-106
-
-
Rücker, G.1
Rücker, C.2
-
21
-
-
0035526172
-
Substructure, subgraph and walk counts as measures of the complexity of graphs and molecules
-
G. Rücker and C. Rücker, Substructure, subgraph and walk counts as measures of the complexity of graphs and molecules, J. Chem. Inf. Comput. Sci. 41 (2001) 1457-1462.
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 1457-1462
-
-
Rücker, G.1
Rücker, C.2
-
26
-
-
84867956265
-
Asymptotic results regarding the number of walks in a graph
-
to appear
-
A. Dress and I. Gutman, Asymptotic results regarding the number of walks in a graph, Appl. Math. Lett., to appear.
-
Appl. Math. Lett.
-
-
Dress, A.1
Gutman, I.2
|