Benjamin J. Lynch

TL;DR: In this paper, a hybrid Hartree−Fock−density functional (HF-DF) model called the modified Perdew−Wang 1-parameter model for kinetics (MPW1K) was optimized against a database of 20 forward barrier heights.

TL;DR: In this paper, a hybrid density functional method for sugar and sugar-like molecules, MPW1S, was presented, which is optimized for sugars and sugarlike molecules using the modified Perdew−Wang density functional.

TL;DR: In this article, a new hybrid Hartree-Fock-density functional model called the Becke88-Becke95 1-parameter model for kinetics (BB1K) was optimized against a database of three forward barrier heights, three reverse barrier heights and three energies of reaction for the reactions in the BH6 representative barrier height database.

TL;DR: In this article , the authors used three of the largest neuroimaging datasets currently available, with a total sample size of around 50,000 individuals, to quantify brain-wide association studies effect sizes and reproducibility as a function of sample size.

TL;DR: In this paper, the authors compared hybrid Hartree−Fock density functional theory to ab initio approaches for locating saddle point geometries and calculating barrier heights on a Born−Oppenhiemer potential energy surface.