نتایج جستجو برای: mathematical chemistry

تعداد نتایج: 319587  

2014
Joachim Schummer Marcelin Berthelot

This paper investigates the role of aesthetic values in chemical research with regard to the sensual qualities of materials; microscopic structures with a particular focus on symmetry; molecular representations in supramolecular chemistry; chemical experimentation; and mathematical modeling in chemical engineering and physical chemistry. I argue that aesthetic values are important motivation an...

2016
Sai-Ho Lee Iain M. Blake Allan G. Larsen James A. McDonald Kei Ohkubo Shunichi Fukuzumi Jeffrey R. Reimers Maxwell J. Crossley

School of Chemistry F11, The University o [email protected] Department of Material and Life Science, University, Suita, Osaka 565-0871, Japan. E Department of Chemistry and Nano Scienc 750, Korea Faculty of Science and Engineering, Meijo U International Centre for Quantum and M 200444, Shanghai, China. E-mail: reimers@ School of Mathematical and Physical Scien 2007, NSW, Australia....

Journal: :Environmental Health Perspectives 1998
R J Quann

Determining the complete molecular composition of petroleum and its refined products is not feasible with current analytical techniques because of the astronomical number of molecular components. Modeling the composition and behavior of such complex mixtures in refinery processes has accordingly evolved along a simplifying concept called lumping. Lumping reduces the complexity of the problem to...

Journal: :Methods in molecular biology 2004
Gerald M Maggiora Veerabahu Shanmugasundaram

Molecular similarity is a pervasive concept in chemistry. It is essential to many aspects of chemical reasoning and analysis and is perhaps the fundamental assumption underlying medicinal chemistry. Dissimilarity, the complement of similarity, also plays a major role in a growing number of applications of molecular diversity in combinatorial chemistry, high-throughput screening, and related fie...

2004
James H. Brown

N 100 years ago, the eminent biologist D'Arcy Thompson began his wonderful book On Growth and Form iCamhridge U. Press, 1917) by quoting Immanue! Kant. The philosopher had observed that "chemistry. .. was a science but not Science . . . for that the criterion of true Science lay in its relation to mathematics." Thompson then declared that, since a "mathematical chemistry" now existed, chemistry...

2017
Jorjethe Roca Naoto Hori Yogambigai Velmurugu Ranjani Narayanan Prasanth Narayanan D. Thirumalai Anjum Ansari

1Department of Physics and 3Department of Bioengineering, University of Illinois at Chicago, Chicago, IL 60607 2Department of Chemistry, University of Texas at Austin, Austin, TX 78712 #Present address: Thomas C. Jenkins Department of Biophysics, Johns Hopkins University, Baltimore MD 21218 ‡Present address: Division of Physics & Applied Physics, School of Physical and Mathematical Sciences, Na...

2012
Fayequa Majid Houria Triki Tasawar Hayat Omar M. Aldossary Anjan Biswas

Department of Physics, Chemistry and Mathematics Alabama Agricultural and Mechanical University Normal AL-35762, USA Department of Physics, Badji Mokhtar University 2300 Anaba, Algeria Department of Mathematics, Qaid-i-Azam University Islamabad-44000, Pakistan Department of Physics, King Saud University P.O. Box 2455, Riyadh-11451, Saudi Arabia Department of Mathematical Sciences, Delaware Stat...

2017
Florent Malrieu

In this note, we present few examples of Piecewise Deterministic Markov Processes and their long time behavior. They share two important features: they are related to concrete models (in biology, networks, chemistry,. . . ) and they are mathematically rich. Their mathematical study relies on coupling method, spectral decomposition, PDE technics, functional inequalities. We also relate these sim...

2007
V. J. MIZEL

4. I .N. Sneddon, Special fundions of mathematical physics and chemistry, Edinburgh (1961), 162. 5« Brij Mohan, Formulae connecting self reciprocal functions, Indian J. Phys. 15 (1941), 337-341. 6. W. T. Howell, On some operational representations, Philos. Mag. 24 (1937), 1082-1083. 7. V. V. L. N. Rao, A property of self reciprocal functions, Vijnana Parishad Anusandhan Patrika (1) 2 (1959), 51...

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