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Application of Chemical Graph Theory for Automated Mechanism Generation
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Computer tools for modelling the chemical phenomena related to combustion
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Construction and simplification of a model for the oxidation of alkanes
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Computer-Aided Derivation of Gas-Phase Oxidation Mechanisms: Application to the Modeling of the Oxidation of n-Butane
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Chapter 4 Mathematical tools for the construction, investigation and reduction of combustion mechanisms
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Direct experimental determination of laminar flame speeds
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Computer based generation of reaction mechanisms for gas-phase oxidation
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Reaction: System for Modeling Chemical Reactions
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Applications of graph theory in chemistry
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SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
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Topological organic chemistry. 1. Graph theory and topological indices of alkanes
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Computer Generation of Reaction Mechanisms Using Quantitative Rate Information: Application to Long-Chain Hydrocarbon Pyrolysis
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Characterization of molecular branching
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Structural Determination of Paraffin Boiling Points
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Raman Spectra of Aqueous Solutions of Potassium Thiocyanate
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Rate-Based Construction of Kinetic Models for Complex Systems
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THERGAS: a computer program for the evaluation of thermochemical data of molecules and free radicals in the gas phase
inferredcites →https://doi.org/10.1051/jcp/1995921666openalex-snapshot
Experimental and modelling study of methane and ethane oxidation between 773 and 1573 K
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Reaction class transition state theory: Hydrogen abstraction reactions by hydrogen atoms as test cases
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The Mechanism of High Temperature Combustion of Propane and Butane
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A Wide Range Modeling Study of Propane and n-Butane Oxidation
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Topological indices based on topological distances in molecular graphs
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