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321 AMBER Force Field Parameters for Cobalt-Containing Biological Systems: A Systematic Derivation Study Article
322 Sulfur-doped Graphene as an Efficient Metal-free Carbocatalyst for the Synthesis of 1,5-Benzodiazepines Derivatives Article
323 Synthesis of a-cyano hydroxylamines via three-component reactions and its computational mechanistic study Article
324 Theoretical calculation of simple and doped CNTs with the potential adsorption of various ions for water desalination technologies Article
325 Using ONIOM calculations to investigate the abilities of simple and nitrogen, boron, sulfur?doped carbon nanotubes in sensing of carbon monoxide Article
326 Oil removal from water using highly hydrophobic, ultralight carbon microspheres Article
327 Preparation of gold-decorated simple and sulfur-doped carbon spheres for desulfurization of fuel Article
328 Phosphorous-modified Porous Carbon Supported Nickel Nanoparticles as a Catalyst for the Reduction of Nitroaromatics in Water Article
329 Synthesis of Ag/CoFe2O4 magnetic aerogel for catalytic reduction of nitroaromatics Article
330 Synthesis of 14H-dibenzoxanthenes in green media using Sn(II)/nano silica as an efficient catalyst Article
331 Electrochemical co-deposition of cobalt and graphene, produced from recycled polypropylene, on TiO2 nanotube as a new catalyst for photoelectrochemical water splitting Article
332 Gold(I)-catalyzed cycloisomerization of alcohol or amine tethered-vinylidenecyclopropanes providing access to morpholine, piperazine or oxazepane derivatives: a carbene <i>versus</i> non-carbene process Article
333 The theoretical study of electron-induced trimerization of acrylic acid anion radical in the gas phase Article
334 MP2, DFT, and IQA study of substituent effect on the structure, stability, and bonding properties of CX2 singlet and triplet carbenes and related carbenoids Article
335 Employing nano-SnFe2O4 in the synthesis of arylbenzimidazoles, the computational study of the reaction mechanism, and examining the products as putative human transmembrane protein activators Article
336 A mechanistic study of the electrochemical reaction between nitrostyrene and benzaldehyde: DFT calculations on all possible routes and intermediates Article
337 Solvent-Free Synthesis of ?-Cyanophosphonates from ?-Nitrostyrenes by Using a Deep-Eutectic Solvent Catalyst Article
338 Single-atom catalysts (SACs) for CO <sub>2</sub> to CO conversion using Cu, Ni, and Co on graphene flakes support; a DFT study Article
339 Theoretical study of the efficiencies of graphyne supported Mo single-atom catalyst (SAC) and Mo-Ni dual-atom catalyst (DAC) on hydrogen evolution reaction Article
340 The regioselectivity in the gold-catalyzed cycloisomerization of alcohols: a full DFT study on carbene versus non-carbene mechanisms Article