نتایج جستجو برای: mathematical chemistry

تعداد نتایج: 319587  

2007
Vinod M. Janardhanan Olaf Deutschmann

This article presents a brief review on modeling philosophies of solid-oxide fuel cells (SOFCs) including an introduction to SOFC components and their functions. While a plethora of numerical models is available for SOFC modeling and simulation, this paper focuses on a general overview on mathematical model equations that represent the physico-chemical processes occurring in SOFCs and their bou...

2015
AKHLAQ AHMAD BHATTI

Topological indices play an important role in Mathematical Chemistry especially in the quantitative structure-property relationship (QSPR) and quantitative structureactivity relationship (QSAR). Recent research indicates that the augmented Zagreb index (AZI) possess the best correlating ability among several topological indices. The main purpose of the current study is to establish some mathema...

Journal: :Revista de saude publica 2006
Claudia Torres Codeço

In the early XX century, mathematical models were introduced into infectious disease epidemiology with the hope that formal procedures so successfully applied to physics and chemistry would be helpful in untangling complex causal relationships in epidemic systems. This hope is clearly stated by Kermack & McKendrick (1927) at the start of one of their papers on the mathematical theory of epidemi...

2017
Alexander G. Shtukenberg Qiang Zhu Damien J. Carter Leslie Vogt Johannes Hoja Elia Schneider Hongxing Song Boaz Pokroy Iryna Polishchuk Alexandre Tkatchenko Artem R. Oganov Andrew L. Rohl Mark E. Tuckerman Bart Kahr

Department of Chemistry, Molecular Design City, NY, 10003, USA. E-mail: shtukenberg@ Department of Physics and Astronomy, High University of Nevada Las Vegas, Nevada 891 Department of Geosciences, Stony Brook Un Curtin Institute for Computation and Dep P.O. Box U1987, Perth, 6845, Western Austr Department of Chemistry, New York Univer Fritz-Haber-Institut der Max-Planck-Gesell Germany Physics a...

2007
Mark Lipson

The use of mathematical models has helped to shed light on countless phenomena in chemistry and biology. Often, though, one finds that systems of interest in these fields are dauntingly complex. In this paper, we attempt to synthesize and expand upon the body of mathematical results pertaining to the theory of multiple equilibria in chemical reaction networks (CRNs), which has yielded surprisin...

2005
F. Giannino M. R. Guarracino V. Monetti N. Romano G. Toraldo

Mathematics programs in high school, graduate and undergraduate university classes, confront students with realworld problems to be solved with software tools, through a modeling process which requires mathematical concepts. We propose an e-learning application for an educational mathematics environment, whose aim is to build a bridge between mathematics world and application world. It is going...

2013
Harry Yserentant

With the work of Schrödinger and Heisenberg in 1926, quantum mechanics found its final form and the complete mathematical description of atoms and molecules had become possible. Dirac commented this with the words “The underlying physical laws necessary for the mathematical theory of a large part of physics and the whole chemistry are thus completely known, and the difficulty is only that the e...

2006
Kieran F. LIM

Students who are strong in logical-mathematical intelligence have a natural advantage in learning and understanding chemistry, which is full of abstractions that are remote from the material world. Simulations provide more-inclusive learning activities for students who are weak in logical-mathematical intelligence. A second advantage of using simulations is that they are not limited by (for exa...

1997
Frank Hoppensteadt

M athematicians are sometimes known in high school biology classes for their tendency to faint during dissections and their ability to cook experiments to fit straight lines. In spite of these impressions, mathematicians and biologists, including medical scientists , have a long history of working successfully together. Sophisticated mathematical results have been used in and have emerged from ...

Journal: :Journal of Chemical Information and Computer Sciences 1999
Subhash C. Basak George W. A. Milne Milan Randic Dilip K. Sinha

The objective of this talk is to present an integrated approach to graph theory and quantum chemistry. Indeed this cross-fertilization is quite natural in that concepts in both areas are intertwined. We will present several examples of this unification which lead to not only significant new insight into both areas but also important results which can be derived elegantly by this cross-fertiliza...

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