Lorentz JÄNTSCHI (lori) works ?id=22
- [id] => 22
- [recorddate] => 2007:01:14:13:34:32
- [lastupdate] => 2007:01:14:13:34:32
- [type] => article
- [place] => Cluj-Napoca, Romania
- [subject] => chemistry - biochemistry; chemistry - physical; informatics - models implementation; informatics - simulation; mathematics - analysis; mathematics - modeling
- [relatedworks] =>
- 2 (average):
- 4 (some):
- New approach of well known oscilating reaction models, ?id=29
- [file] => ?f=22
- [mime] => application/pdf
- [size] => 241757
- [pubname] => International Conference on Quality Control, Automation and Robotics
- [pubinfo] => Mediamira
- [pubkey] => ISBN 973-9357-10-3
- [workinfo] => 1, p. 263-268, May 23-25
- [year] => 2002
- [title] => Numerical kinetic chemistry
- [authors] => Lorentz JÄNTSCHI, Elena M. PICĂ
- [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  with major applications in QSPR/QSAR studies , and applied sciences such as engineering of materials or agriculture ; the second direction is to models the kinetic processes that are involved in chemical reactions . 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.
 M. Diudea, I. Gutman, L. Jäntschi (2001), Molecular Topology, Nova Science, Huntington, New York, 332 p., ISBN 1-56072-957-0.
 M. V. Diudea, Ed. (2001), QSPR / QSAR Studies by Molecular Descriptors, Nova Science, Huntington, New York, 438 p., ISBN 1-56072-859-0.
 L. Jäntschi (2002), Studii Fitosanitare, Amici, Cluj-Napoca, in press.
 L. Jäntschi, M. Ungureşan (2001), Chimie Fizică. Cinetică şi Dinamică Moleculară, Mediamira, Cluj-Napoca, 159 p.
- [keywords] => numerical methods; kinetics; oscillating reactions
- [acknowledgment] => Thanks to editor-in-chief of the first issue of Eur. J. Chem. for its valuable comments on subject.