Heechol Choi

TL;DR: The CO(2) chemisorption energy on B(N) is almost independent of tube diameter and, more importantly, higher than the standard free energy of gaseous CO(1) at room temperature, implying that boron-rich BNNT could capture CO( 2) effectively at ambient conditions.

TL;DR: The S-D bond dissociation dynamics of thiophenol-d1 (C6H5SD) pumped at 266, 243, and 224 nm are examined using the velocity map ion imaging technique, which indicates that the pipi* electronic excitation at 266 nm is accompanied by significant vibrational excitation.

TL;DR: In this paper, the geometries and vibrational properties of the low-lying electronic states of neutral and anionic of M3 (M = P, As, Sb, and Bi) were studied using the coupled-cluster singles, doubles, and noniterative triples (CCSD(T)) method as well as the density functional theory (B3LYP-DFT) method.

TL;DR: It was shown that the branching ratio can be sufficiently above unity without pre-excitation of the torsion mode of -SH, which has been assumed so far.

TL;DR: According to Hoffmann's suggestions, and judging from relative values for the electronic excitation and ionization energies, the orbital interaction in pyridazine is considered to be much stronger than that of pyrazine or pyrimidine, Therefore, the geometrical distortion in the excited state has been considered hardly to occur, because the two closely spaced lone-pairs of nitrogen atoms interact so strongly in pyrsidazine to give efficient electronic delocalization.