Lester Andrews

TL;DR: Matrix infrared spectroscopy has been used to characterize the cocondensation reaction products of H atoms and CS 2 in solid argon at 12 K as discussed by the authors, and the major product bands at 12752 and 12278 cm -1 were characterized by photolysis with 320-1000-nm radiation and reappearance on annealing to 18 K to allow diffusion and reaction of trapped H atoms Deuterium, 13 C, and 34 S isotopic data were used to identify the HSCS radical

TL;DR: In this article, the vibrational frequencies of several states of CaO2, ScO2 and TiO2 are computed using density functional theory (DFT), the Hartree-Fock approach, second-order Moller-Plesset perturbation theory (MP2), and the complete-active-space self-consistent field theory.

TL;DR: The Group 5 metal methylidene isocyanides exhibit more agostic distortion than the Zr counterparts and are comparable to the previously studied Group 5Metal methylidenes hydrides and halides.

TL;DR: In this article, the electronic and geometrical structures of 3d-metal monocarbonyls MCO (M=Sc to Cu), the MCO − anions and MCO + cations are computed using the density functional theory with generalized gradient approximation for the exchange-correlation potential.