Ab-initio dynamic study of mechanisms for dust-mediated molecular hydrogen formation in space. [PDF]
Guo Y, McKenzie DR.
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Ammonia Synthesis over Transition Metal Catalysts: Reaction Mechanisms, Rate-Determining Steps, and Challenges. [PDF]
Varadwaj PR, Marques HM, Grabowski I.
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Comprehensive Atomistic Simulations of Fischer-Tropsch in Outer Space: Astrocatalysis by Fe<sub>13</sub>-Supported Nanoclusters on SiO<sub>2</sub>. [PDF]
Pareras G+3 more
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Global Reaction Route Mapping of C<sub>3</sub>H<sub>2</sub>O: Isomerization Pathways, Dissociation Channels, and Bimolecular Reaction with a Water Molecule. [PDF]
Zhang D, Kishimoto N.
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Molecular mechanism of type ib MET inhibitors and their potential for CNS tumors. [PDF]
Liu Z+6 more
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Simulation of the Pyrolysis Process of Cyclohexane-Containing Semi-Aromatic Polyamide Based on ReaxFF-MD. [PDF]
Zhang X+5 more
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The Formation of MgS & MgO Monomers and Dimers from Magnesium, Oxygen, and Sulfur Hydrides. [PDF]
Bell KM, Fortenberry RC.
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Comprehensive computational strategies for multi-target drug discovery in inflammatory bowel disease utilizing bioactive compounds. [PDF]
Mansouri P+5 more
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Task-specific deep eutectic solvents with synergistic catalytic performance as excellent and recyclable catalysts for Beckmann rearrangement. [PDF]
Sun S, Li Y, Liu S.
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