Results 101 to 110 of about 1,373 (200)

Validity of a linear estimator for the total pi-electron energy of alternant hydrocarbons

, 1996
The validity of a linear topological estimator formula which possesses a slope k such that 0 < k < 1, where k is dependent on the topology of the system, is proved for the totol pi-electron energy of alternant ...
Türker, Burhan Lemi
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QSPR Study of Polarographic Half-wave Reduction Potentials of Benzenoid Hydrocarbons*

, 2020
Correlation between the polarographic half-wave reduction potentials and the set of molecular descriptors of lower benzenoid hydrocarbons was made by the CROMRsel modeling procedure. The following descriptors were used in the modeling procedure: electron
Sonja Nikoli}, Ante Mili~evi}, Nenad Trinajsti}   +2 more
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On –electron excess of rings of benzenoid hydrocarbons

, 2006
In a previous paper [Gutman I, Indian J Chem 43A (2004) 1615], the concept of pi-electron excess of rings of benzenoid hydrocarbons has been introduced, aimed at amending the electron contents of rings computed on the basis of Pauling bond orders.
Vodopivec, Andrej, Furtula, Boris, Radenkovic, Slavko, Gutman, Ivan   +3 more
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Efficient algorithm on exponential Wiener index and QSPR analysis of alkanes and benzenoid hydrocarbons. [PDF]

Sci Rep
Punitha S, Kannan K, Menaga A.
europepmc   +1 more source

On distribution of π-electrons in rhombus-shaped benzenoid hydrocarbons

, 2006
1601-1604The distribution of π-electrons into rings of rhombus-shaped benzenoid hydrocarbons is reported here. In this class of benzenoid systems, the (unique) Clar formula represents only a minute fraction of the total number of Kekule structures ...
Turkovic, Nedzad, Furtula, Boris, Gutman, Ivan   +2 more
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Linear model based on neighborhood ABS index for graph energy in benzenoid hydrocarbons and maximum index cactus graphs. [PDF]

Sci Rep
Chu ZQ, Yasin H M, Suresh M, Arockiaraj M.   +3 more
europepmc   +1 more source

Application of Reduced Graph Model to the Enumeration of Kekule Structures and Conjugated Circuits of Benzenoid Hydrocarbons

, 1982
The reduced graph model which represents an alternative way of depicting hexagonal networks is reviewed. This model is exploited in several enumeration problems of benzenoid systems.
N. Trinajstić, B. Džonova-Jerman-Blažić, Džonova-Jerman-Blažić, B., Trinajstić, N.   +3 more
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Applications of the Reduced Graph Model. Enumeration of Kekule Structures for Certain Classes of Large Benzenoid Hydrocarbons

, 1986
The reduced graph model is applied to the enumeration of Kekule structures for several classes of large benzenoid ...
Pavel Krivka, Trinajstić, Nenad, Sonja Nikolić, Krivka, Pavel, Nikolić, Sonja, Nenad Trinajstić   +5 more
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QSPR correlations of half-wave reduction potentials of cata-condensed benzenoid hydrocarbons

ARKIVOC, 2006
Jyoti Singh, Shalini Singh, Shahida Meer, Vijay K. Agrawal, Padmakar V. Khadikar, Alexandru T. Balaban   +5 more
doaj   +1 more source

THE EXISTENCE OF KEKULE STRUCTURES IN A BENZENOID SYSTEM

, 1990
The existence of Kekulé structures in a benzenoid system is the first fundamental problem in the topological theory of benzenoid systems. It was considered as one of the most difficult open problems in this theory.
Zhang, F. J., Chen, R. S., 郭晓峰, Guo, X. F.   +3 more
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