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CONTRIBUTORS:
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JOURNAL:
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YEAR:
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2003
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PUB TYPE:
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Journal Article
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SUBJECT(S):
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chemistry - biochemistry; chemistry - physical; informatics - models implementation; informatics - simulation; mathematics - analysis
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DISCIPLINE:
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Biochemistry
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HTTP:
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http://lori.academicdirect.org/works/?id=26
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LANGUAGE:
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English
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PUB ID:
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103-434-627
(Last edited on
2007/05/23 09:10:41 GMT-6)
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SPONSOR(S):
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ABSTRACT:
Mathematics and computer programming have a major contribution to chemistry. Two directions can be identified: one that searches and tries (rich) to explain the structural binding and shape of the chemical compounds [1] with major applications in QSPR/QSAR studies [2], and applied sciences such as engineering of materials or agriculture [3]; the second direction is to models the kinetic processes that are involved in chemical reactions [4]. Many such models are available here. The present paper describes three variants of well the known kinetic models and presents the mathematical equations associated with them. The differential equations are numerically solved and fitted with MathCad program.
References
1. Diudea M., Gutman I., Jäntschi L., Molecular Topology, Nova Science, Huntington, New York, 332 p., 2001.
2. Diudea M. V., Ed., QSPR / QSAR Studies by Molecular Descriptors, Nova Science, Huntington, New York, 438 p., 2001.
3. Jäntschi L., Microbiology and Toxicology. Phytochemistry Studies (in Romanian), Amici, Cluj-Napoca, 184 p., 2003.
4. Jäntschi L., Unguresan M., Physical Chemistry. Molecular Kinetic and Dynamic (in Romanian), Mediamira, Cluj-Napoca, 159 p., 2001.
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STATISTICS
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