In this study, the mechanism and microkinetics of 1-butene catalytic cracking were investigated. Based on the calculation results of the full reaction, the optimal paths for 1-butene isomerization and ...

We use the full multiple spawning (FMS) dynamics approach with a hybrid quantum mechanics/molecular mechanics (QM/MM) reparameterized semiempirical method to investigate the excited-state dynamics of ...

Although separation of single-walled carbon nanotubes (SWCNTs) according to their helicity and handedness has been attracting tremendous interest recently, exploration of the left- and right-handed ...

Conventional biochar has limited effectiveness in the adsorption of sulfonamide antibiotics, while modified biochar exhibits greater adsorption potential. Residues of sulfamethoxazole (SMX) in the ...

Photooxygenations of 1,2-, 1,3-, and 2,3-di- and 1,2,3-trisubstituted indolizines 1a−1f under different reaction conditions in methanol and acetonitrile have been investigated to establish the general ...

The coordination chemistry of the Schiff base polypyrrolic octaaza macrocycle 1 toward late first-row transition metals was investigated. Binuclear complexes with the divalent cations Ni(II), Cu(II), ...