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- Conference Paper
- C3
- open access
Automatic reaction network using chemo-informatics
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First principle-based simulation of ethane steam cracking
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Kinetic modeling as a tool to understand and improve the nitroxide mediated polymerization of styrene
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Normal mode analysis in zeolites: toward an efficient calculation of adsorption entropies
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Aqueous controlled radical polymerization of acrylamides: macromolecular engineering using kinetic modeling
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- Journal Article
- A1
- open access
Bond dissociation energies of organophosphorus compounds : an assessment of contemporary ab initio procedures