Computational Chemistry
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- 2017
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Targeting the reactive intermediate in polysaccharide monooxygenases
2017) In Journal of Biological Inorganic Chemistry(
- Contribution to journal › Article
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Multiscale Modelling of Lytic Polysaccharide Monooxygenases
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- Contribution to journal › Article
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Bare and Effective Charge of Mesoporous Silica Particles
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Relativistic Polarizable Embedding
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Quasi-universality in mixed salt-free counterion systems
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- Contribution to journal › Article
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Structural Characterization of Histatin 5-Spermidine Conjugates : A Combined Experimental and Theoretical Study
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On the dissolution of cellulose in tetrabutylammonium acetate/dimethyl sulfoxide : a frustrated solvent
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Molecular Dynamic Simulations of Ionic Liquid's Structural Variations from Three to One Layers inside a Series of Slit and Cylindrical Nanopores
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Steering patchy particles using multivalent electrolytes
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H2 binding to the active site of [NiFe] hydrogenase studied by multiconfigurational and coupled-cluster methods
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- Contribution to journal › Article