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410 Newest Publications in journal of mathematical chemistry
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A probabilistic evolution approach trilogy, part 2: spectral issues for block triangular evolution matrix, singularities, space extension
19-10-2012 | Metin Demiralp, N. A. Baykara, Journal of Mathematical Chemistry, 2012
This is the second part of the trilogy on the probabilistic evolution approach and related to the quantum dynamical systems as the first part is. In this sense this work extends the content of the first part to the perhaps secondary but very important details. The spectral investigation of ...
Entropy production of a mechanically driven single oligomeric enzyme: a consequence of fluctuation theorem
16-10-2012 | Biswajit Das, Kinshuk Banerjee, Gautam Gangopadhyay, Journal of Mathematical Chemistry, 2012
In this work we have shown how an applied mechanical force affects an oligomeric enzyme kinetics in a chemiostatic condition where the statistical characteristics of random walk of the substrate molecules over a finite number of active sites of the enzyme plays important contributing factors ...
A thermal model and experimental procedure for a point-source approach to determining the thermal properties of drill cuttings
16-10-2012 | M. A. Rey-Ronco, T. Alonso-Sánchez, J. Coppen-Rodríguez, M. P. Castro-García, Journal of Mathematical Chemistry, 2012
This paper discusses a new procedure for calculating the conductivity and volumetric heat capacity of drill cuttings from boreholes, an important factor when designing shallow geothermal systems. The experiment in question consists of placing 55–65 kg drill cutting samples inside a container, ...
Non-linear parallel solver for detecting point sources in CMB maps using Bayesian techniques
15-10-2012 | P. Alonso, F. Argüeso, R. Cortina, J. Ranilla, A. M. Vidal, Journal of Mathematical Chemistry, 2012
In this work we present a suitable computational tool to deal with large matrices and solve systems of non-linear equations. This technique is applied to a very interesting problem: the detection and flux estimation of point sources in Cosmic Microwave Background (CMB) maps, which allows a ...
A probabilistic evolution approach trilogy, part 1: quantum expectation value evolutions, block triangularity and conicality, truncation approximants and their convergence
15-10-2012 | Metin Demiralp, Journal of Mathematical Chemistry, 2012
This is the first one of three companion papers focusing on the “probabilistic evolution approach (PEA)” which has been developed for the solution of the explicit ODE involving problems under certain consistent impositions. The main purpose here is the determination of the expectation value ...
Bounds for the Kirchhoff index via majorization techniques
13-10-2012 | Monica Bianchi, Alessandra Cornaro, José Luis Palacios, Anna Torriero, Journal of Mathematical Chemistry, 2012
Using a majorization technique that identifies the maximal and minimal vectors of a variety of subsets of \mathbbRn , we find upper and lower bounds for the Kirchhoff index K(G) of an arbitrary simple connected graph G that improve those existing in the literature. Specifically we show that ...
High order four-step hybrid method with vanished phase-lag and its derivatives for the approximate solution of the Schrödinger equation
13-10-2012 | Ibraheem Alolyan, T. E. Simos, Journal of Mathematical Chemistry, 2012
In this paper, we develop a new four-step hybrid method of sixth algebraic order with vanished phase-lag and its first and second derivatives. For the obtained method we study: – its error and – its stability We apply the produced method to the Schrödinger equation in order to show its efficiency.
Analytical-numerical solution for turbulent jet diffusion flames of hydrogen
13-10-2012 | F. N. Pereira, G. S. L. Andreis, A. L. De Bortoli, N. R. Marcílio, Journal of Mathematical Chemistry, 2012
The hydrogen fuel seems to be a good candidate to replace the energy obtained from some fossil fuels. Therefore this work explains the process of obtaining a two-step reduced chemical kinetic mechanism for the hydrogen combustion. The development of a reduced mechanism consists in eliminating ...
A note on the generalized Rayleigh equation: limit cycles and stability
12-10-2012 | Miguel A. López, Raquel Martínez, Journal of Mathematical Chemistry, 2012
The aim of the present paper is to give an analytical proof on the existence and stability of the limit cycles in the generalized Rayleigh equation, which models diabetic chemical processes through a constant area duct where the effect of heat addition or rejection is considered, ...
Correlation between Fourier series expansion and Hückel orbital theory
12-10-2012 | Yue Liu, Ying Liu, Michael G. B. Drew, Journal of Mathematical Chemistry, 2012
The Fourier series can be used to describe periodic phenomena such as the one-dimensional crystal wave function. By the trigonometric treatements in Hückel theory it is shown that Hückel theory is a special case of Fourier series theory. Thus, the conjugated π system is in fact a periodic ...
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