scholarly journals Iterative estimation of total π-electron energy

2005 ◽  
Vol 70 (10) ◽  
pp. 1193-1197 ◽  
Author(s):  
Lemi Türker ◽  
Ivan Gutman

In this work, the lower and upper bounds for total ?-electron energy (E) was studied. A method is presented, by means of which, starting with a lower bound EL and an upper bound EU for E, a sequence of auxiliary quantities E0 E1, E2,? is computed, such that E0 = EL, E0 < E1 < E2 < ?, and E = EU. Therefore, an integer k exists, such that Ek E < Ek+1. If the estimates EL and EU are of the McClelland type, then k is called the McClelland number. For almost all benzenoid hydrocarbons, k = 3.

2013 ◽  
Vol 78 (12) ◽  
pp. 1925-1933 ◽  
Author(s):  
Ivan Gutman ◽  
Kinkar Das

The paper gives a short survey of the most important lower and upper bounds for total ?-electron energy, i.e., graph energy (E). In addition, a new lower and a new upper bound for E are deduced, valid for general molecular graphs. The strengthened versions of these estimates, valid for alternant conjugated hydrocarbons, are also reported.


2010 ◽  
Vol 2010 ◽  
pp. 1-11
Author(s):  
Qin Guo ◽  
Mingxing Luo ◽  
Lixiang Li ◽  
Yixian Yang

From the perspectives of graph theory and combinatorics theory we obtain some new upper bounds on the number of encoding nodes, which can characterize the coding complexity of the network coding, both in feasible acyclic and cyclic multicast networks. In contrast to previous work, during our analysis we first investigate the simple multicast network with source rateh=2, and thenh≥2. We find that for feasible acyclic multicast networks our upper bound is exactly the lower bound given by M. Langberg et al. in 2006. So the gap between their lower and upper bounds for feasible acyclic multicast networks does not exist. Based on the new upper bound, we improve the computational complexity given by M. Langberg et al. in 2009. Moreover, these results further support the feasibility of signatures for network coding.


Author(s):  
Mahir Hassan ◽  
Amir Khajepour

In this work, the application of the Dykstra’s alternating projection method to find the minimum-2-norm solution for actuator forces is discussed in the case when lower and upper bounds are imposed on the actuator forces. The lower bound is due to specified pretension desired in the cables and the upper bound is due to the maximum allowable forces in the cables. This algorithm presents a systematic numerical method to determine whether or not a solution exists to the cable forces within these bounds and, if it does exist, calculate the minimum-2-norm solution for the cable forces for a given task force. This method is applied to an example 2-DOF translational cable-driven manipulator and a geometrical demonstration is presented.


2000 ◽  
Vol 55 (5) ◽  
pp. 507-512 ◽  
Author(s):  
I. Gutman ◽  
J. H. Koolen ◽  
V. Moulto ◽  
M. Parac ◽  
T. Soldatović ◽  
...  

Abstract Lower and upper bounds as well as approximate formulas for the total π-electron energy (E) of benzenoid hydrocarbons are deduced, depending only on the number of carbon atoms (n) and number of carbon-carbon bonds (to). These are better than the several previously known (n, m)-type estimates and approximations for E.


2000 ◽  
Vol 32 (01) ◽  
pp. 244-255 ◽  
Author(s):  
V. Dumas ◽  
A. Simonian

We consider a fluid queue fed by a superposition of a finite number of On/Off sources, the distribution of the On period being subexponential for some of them and exponential for the others. We provide general lower and upper bounds for the tail of the stationary buffer content distribution in terms of the so-called minimal subsets of sources. We then show that this tail decays at exponential or subexponential speed according as a certain parameter is smaller or larger than the ouput rate. If we replace the subexponential tails by regularly varying tails, the upper bound and the lower bound are sharp in that they differ only by a multiplicative factor.


2009 ◽  
Vol 74 (2) ◽  
pp. 155-158 ◽  
Author(s):  
Slavko Radenkovic ◽  
Ivan Gutman

The commonly accepted opinion that the thermodynamic stability of isomeric benzenoid hydrocarbons (assessed by their total ?-electron energy and various resonance energies) increases with increasing number of Kekul? structures is shown to be violated in numerous cases. The smallest examples of such anomalous behavior are two hexacyclic pericondensed benzenoids of formula C24H14 and several pairs of heptacyclic catacondensed benzenoids of formula C30H18.


2020 ◽  
Vol DMTCS Proceedings, 28th... ◽  
Author(s):  
Eran Nevo ◽  
Guillermo Pineda-Villavicencio ◽  
Julien Ugon ◽  
David Yost

International audience this is an extended abstract of the full version. We study n-vertex d-dimensional polytopes with at most one nonsimplex facet with, say, d + s vertices, called almost simplicial polytopes. We provide tight lower and upper bounds for the face numbers of these polytopes as functions of d, n and s, thus generalizing the classical Lower Bound Theorem by Barnette and Upper Bound Theorem by McMullen, which treat the case s = 0. We characterize the minimizers and provide examples of maximizers, for any d.


2007 ◽  
Vol 03 (04) ◽  
pp. 503-511 ◽  
Author(s):  
SHALOM ELIAHOU ◽  
MICHEL KERVAIRE

In this paper, we give lower and upper bounds for the minimal size μG(r,s) of the sumset (or product set) of two finite subsets of given cardinalities r,s in a group G. Our upper bound holds for solvable groups, our lower bound for arbitrary groups. The results are expressed in terms of variants of the numerical function κG(r,s), a generalization of the Hopf–Stiefel function that, as shown in [6], exactly models μG(r,s) for G abelian.


2008 ◽  
Vol 73 (10) ◽  
pp. 989-995 ◽  
Author(s):  
Jelena Djurdjevic ◽  
Slavko Radenkovic ◽  
Ivan Gutman

The applicability of the Hall rule (linear relation between the total ?-electron energy and the number of Kekul? structures) was investigated in the case of fluoranthene-type benzenoid hydrocarbons. It was found that the originnal Hall rule is not obeyed, but holds for sets of isomers with a fixed number of bay regions. For such groups of isomers, two apparently contradictory Hall-type rules were conceived, and it was found that both give almost identical numerical results.


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