23 research outputs found
Sequential Pd- and Rh-catalyzed three-component cyclization with allenylboronate platform
Catalytic four-component assembly based on allenylboronate platform: New access to privileged allylic amine structures
Rapid construction of multisubstituted olefin structures using vinylboronate ester platform leading to highly fluorescent materials
Palladium-catalyzed convergent synthesis and properties of conjugated dendrimers based on triarylethene branching
Multisubstituted Olefins: Platform Synthesis and Applications to Materials Science and Pharmaceutical Chemistry
Studies on the Mechanism of Intermolecular Enyne Metathesis: Kinetic Method and Alkyne Substituent Effects
Extrapolating to the One-Electron Basis Set Limit in Polarizability Calculations
We report calculations of polarizabilities using total energies extrapolated to the complete basis set limit. A dual-level scheme has been employed, with the complete basis set limit of the correlation energy determined by the recently reported uniform singlet- and triplet-pair extrapolation method. The finite field approach has been employed, with tensors and averaged polarizabilities for the ground electronic states of H2, N2, CO, and H2O reported and compared with available experimental data in the literature. Exploratory results are also presented for C6H4NO2NH2