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- 2021
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Mark
Combustion chemistry of methoxymethanol. Part I : Chemical kinetics of hydrogen-abstraction reactions and the unimolecular reactions of the product [C2H5O2] radicals
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- Contribution to journal › Article
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Comparison of the accuracy of DFT methods for reactions with relevance to nitrogenase
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- Contribution to journal › Article
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From Attraction to Repulsion to Attraction: Non-Monotonic Temperature Dependence of Polymer-Mediated Interactions in Colloidal Dispersions
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- Contribution to journal › Article
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Force Field Effects in Simulations of Flexible Peptides with Varying Polyproline II Propensity
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- Contribution to journal › Article
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QM/MM study of the binding of H2 to MoCu CO dehydrogenase : development and applications of improved H2 van der Waals parameters
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- Contribution to journal › Article
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Integrated bioelectronic proton-gated logic elements utilizing nanoscale patterned Nafion
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- Contribution to journal › Article
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Deep learning for inverse problems in quantum mechanics
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- Contribution to journal › Article
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PED in 2021 : A major update of the protein ensemble database for intrinsically disordered proteins
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- Contribution to journal › Article
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Molecular dynamics simulations of phosphorylated intrinsically disordered proteins : A force field comparison
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- Contribution to journal › Article
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Direct Evidence for Reaction between Cellulose and CO2from Nuclear Magnetic Resonance
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- Contribution to journal › Article