DOI: 10.1016/s0098-1354(97)00003-3. Construction of complex reaction systems—II. Molecule manipulation and reaction application algorithms

Construction of complex reaction systems—II. Molecule manipulation and reaction application algorithms

10.1016/s0098-1354(97)00003-3

Crossref journal-article

Elsevier BV

Computers & Chemical Engineering (78)

Bibliography

Prickett, S. E., & Mavrovouniotis, M. L. (1997). Construction of complex reaction systemsâII. Molecule manipulation and reaction application algorithms. Computers & Chemical Engineering, 21(11), 1237â1254.

Authors 2

S.E. Prickett (first)
M.L. Mavrovouniotis (additional)

References 31 Referenced 25

{'key': '10.1016/S0098-1354(97)00003-3_BIB1', 'article-title': 'Reaction path synthesis inindustrial chemistry', 'volume': 'Vol. 124', 'author': 'Agnihotri', 'year': '1980'} / Reaction path synthesis inindustrial chemistry by Agnihotri (1980)
{'key': '10.1016/S0098-1354(97)00003-3_BIB2', 'series-title': 'Kinetic and Thermodynamic Lumping of Multicomponent Mixtures', 'article-title': 'Structural models of catalytic cracking chemistry', 'author': 'Allen', 'year': '1991'} / Kinetic and Thermodynamic Lumping of Multicomponent Mixtures / Structural models of catalytic cracking chemistry by Allen (1991)
10.1021/ie00028a003 / Ind. Eng. Chem. Res. / Computer generated pyrolysis modeling: on-the-fly generation of species, reactions, and rates by Broadbelt (1994)
10.1002/bbpc.199000033 / Ber. Bunsenges. Phys. Chem. / Automatic generation of reaction mechanisms for the description of the oxidation of higher hydrocarbons by Chevalier (1990)
10.1126/science.166.3902.178 / Science / Computer-assisted design of complex organic syntheses by Corey (1969)
{'key': '10.1016/S0098-1354(97)00003-3_BIB6', 'author': 'Cormen', 'year': '1990'} by Cormen (1990)
{'key': '10.1016/S0098-1354(97)00003-3_BIB7', 'first-page': '19', 'article-title': 'An algebraic model of constitutional chemistry as a basis for chemical computer programs', 'volume': '39', 'author': 'Dugundi', 'year': '1973', 'journal-title': 'Topics Curr. Chem.'} / Topics Curr. Chem. / An algebraic model of constitutional chemistry as a basis for chemical computer programs by Dugundi (1973)
{'key': '10.1016/S0098-1354(97)00003-3_BIB8', 'series-title': 'Chemical Reactions in Complex Systems: the Mobil Workshop', 'article-title': 'Fundamental kinetic modeling of complex processes', 'author': 'Froment', 'year': '1991'} / Chemical Reactions in Complex Systems: the Mobil Workshop / Fundamental kinetic modeling of complex processes by Froment (1991)
10.1016/S0003-2670(00)82062-0 / Anal. Chim. Acta / Computer-assisted reaction prediction and synthesis design by Gasteiger (1990)
10.1021/ci60017a011 / J. Chem. Inf. Comput. Sci. / An algorithm for the perception of synthetically important rings by Gasteiger (1979)
{'key': '10.1016/S0098-1354(97)00003-3_BIB11', 'first-page': '113', 'article-title': 'Discovery of organic synthetic routes', 'volume': '41', 'author': 'Gelernter', 'year': '1973', 'journal-title': 'Topics Curr. Chem.'} / Topics Curr. Chem. / Discovery of organic synthetic routes by Gelernter (1973)
{'key': '10.1016/S0098-1354(97)00003-3_BIB12', 'author': 'Hippe', 'year': '1991'} by Hippe (1991)
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{'key': '10.1016/S0098-1354(97)00003-3_BIB14', 'series-title': 'Chemical Reactions in Complex Systems: the Mobil Workshop', 'article-title': 'Monte Carlo modeling of complex reaction system: an asphaltene example', 'author': 'Klein', 'year': '1991'} / Chemical Reactions in Complex Systems: the Mobil Workshop / Monte Carlo modeling of complex reaction system: an asphaltene example by Klein (1991)
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10.1021/ie00011a013 / Ind. Eng. Chem. Res. / Structure-oriented lumping: describing the chemistry of complex hydrocarbon mixtures by Quann (1992)
10.1021/ci00030a010 / J. Chem. Inf. Comput. Sci. / Computer-assisted mechanistic evaluation of organic reaction, 2. Perception of rings, aromaticity, and tautomers by Roos-Kozel (1981)
10.1002/jcc.540070508 / J. Comput. Chem. / Computer simulation of metabolic transformation by Tinker (1986)
10.1021/ci00017a001 / J. Chem. Inf. Comput. Sci. / Models, concepts, theories, and formal languages in chemistry and their use as a basis for computer assistance in chemistry by Ugi (1994)
{'issue': 'No. 11', 'key': '10.1016/S0098-1354(97)00003-3_BIB28', 'article-title': 'Lumps, models, and kinetics in practice', 'volume': 'Vol. 75', 'author': 'Weekman', 'year': '1979', 'journal-title': 'AIChE Monograph Series'} / AIChE Monograph Series / Lumps, models, and kinetics in practice by Weekman (1979)
10.1021/ci00057a005 / J. Chem. Inf. Comput. Sci. / SMILES, a chemical language and information system, 1. Introduction to methodology and encoding rules by Weinenger (1988)
10.1016/0004-3702(78)90016-4 / Artif. Intell. / Simulation and evaluation of chemical synthesis—SECS: an application of artificial intelligence techniques by Wipke (1978)
10.1021/ci60003a003 / J. Chem. Inf. Comput. Sci. / Use of ring assemblies in a ring perception algorithm by Wipke (1975)

Dates

Type	When
Created	22 years, 3 months ago (April 23, 2003, 3:57 p.m.)
Deposited	6 years, 4 months ago (April 13, 2019, 10:26 p.m.)
Indexed	1 year, 9 months ago (Oct. 27, 2023, 9:58 p.m.)
Issued	28 years, 7 months ago (Jan. 1, 1997)
Published	28 years, 7 months ago (Jan. 1, 1997)
Published Print	28 years, 7 months ago (Jan. 1, 1997)

Funders 0

None

BibTeX

@article{Prickett_1997, title={Construction of complex reaction systems—II. Molecule manipulation and reaction application algorithms}, volume={21}, ISSN={0098-1354}, url={http://dx.doi.org/10.1016/s0098-1354(97)00003-3}, DOI={10.1016/s0098-1354(97)00003-3}, number={11}, journal={Computers & Chemical Engineering}, publisher={Elsevier BV}, author={Prickett, S.E. and Mavrovouniotis, M.L.}, year={1997}, month=jan, pages={1237–1254} }

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