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New mechanism for autoxidation of polyolefins : kinetic Monte Carlo modelling of the role of short-chain branches, molecular oxygen and unsaturated moieties
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A comprehensive model for the role of water and silanols in the amine catalyzed aldol reaction
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- Journal Article
- A1
- open access
Effect of phosphine on coke formation during steam cracking of propane
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Dehydration of butanol towards butenes over MFI, FAU and MOR : influence of zeolite topology
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- Journal Article
- A1
- open access
Going beyond the carothers, flory and stockmayer equation by including cyclization reactions and mobility constraints
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Synergy of advanced experimental and modeling tools to underpin the synthesis of static step-growth-based networks involving polymeric precursor building blocks
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- Journal Article
- A1
- open access
Combustion of ethylamine, dimethylamine and diethylamine : theoretical and kinetic modeling study
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- Journal Article
- A1
- open access
Bond additivity corrections for CBS‐QB3 calculated standard enthalpies of formation of H, C, O, N, and S containing species
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Computational prediction of the molecular configuration of three-dimensional network polymers
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- Journal Article
- A1
- open access
Computational prediction of the molecular configuration of three-dimensional network polymers