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Pregledni rad
Mathematical Properties of Molecular Descriptors Based on Distances
Bo Zhou
; Department of Mathematics, South China Normal University, Guangzhou 510631, P. R. China
Nenad Trinajstić
; The Ruđer Bošković Institute, P. O. Box 180, HR-10002 Zagreb, Croatia
| Puni tekst: engleski, pdf (2 MB) | str. 227-242 | citiraj | |
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APA 6th Edition Zhou, B. i Trinajstić, N. (2010). Mathematical Properties of Molecular Descriptors Based on Distances. Croatica Chemica Acta, 83 (2), 227-242. Preuzeto s https://hrcak.srce.hr/56027 MLA 8th Edition Zhou, Bo i Nenad Trinajstić. "Mathematical Properties of Molecular Descriptors Based on Distances." Croatica Chemica Acta, vol. 83, br. 2, 2010, str. 227-242. https://hrcak.srce.hr/56027. Citirano 19.01.2021. Chicago 17th Edition Zhou, Bo i Nenad Trinajstić. "Mathematical Properties of Molecular Descriptors Based on Distances." Croatica Chemica Acta 83, br. 2 (2010): 227-242. https://hrcak.srce.hr/56027 Harvard Zhou, B., i Trinajstić, N. (2010). 'Mathematical Properties of Molecular Descriptors Based on Distances', Croatica Chemica Acta, 83(2), str. 227-242. Preuzeto s: https://hrcak.srce.hr/56027 (Datum pristupa: 19.01.2021.) Vancouver Zhou B, Trinajstić N. Mathematical Properties of Molecular Descriptors Based on Distances. Croatica Chemica Acta [Internet]. 2010 [pristupljeno 19.01.2021.];83(2):227-242. Dostupno na: https://hrcak.srce.hr/56027 IEEE B. Zhou i N. Trinajstić, "Mathematical Properties of Molecular Descriptors Based on Distances", Croatica Chemica Acta, vol.83, br. 2, str. 227-242, 2010. [Online]. Dostupno na: https://hrcak.srce.hr/56027. [Citirano: 19.01.2021.] |
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Sažetak
A survey of a number of molecular descriptors based on distance matrices and distance eigenvalues
is given. The following distance matrices are considered: the standard distance matrix, the reverse
distance matrix, the complementary distance matrix, the resistance-distance matrix, the detour matrix, the
reciprocal distance matrix, the reciprocal reverse Wiener matrix and the reciprocal complementary distance
matrix. Mathematical properties are discussed for the following molecular descriptors with a special
emphasis on their upper and lower bounds: the reverse Wiener index, the Harary index, the reciprocal reverse
Wiener index, the reciprocal complementary Wiener index, the Kirchhoff index, the detour index,
the Balaban index, the reciprocal Balaban index, the reverse Balaban index and the largest eigenvalues of
distance matrices. This set of molecular descriptors found considerable use in QSPR and QSAR.
Ključne riječi
Distance matrices; Wiener-like indices; distance eigenvalues; Balaban-like indices; upper and lower bounds; QSPR; QSAR
Hrčak ID: 56027
URI
https://hrcak.srce.hr/56027
Moj profil
Srce