Paper

01 May 2002

Classical and Nonclassical Structures of the Vinyl Cation. An Accurate Computational Determination of their Relative Stabilities and Optimum Rearrangement Path

View publication

Abstract

No abstract available.

Paper

An ab initio calculation of v₁ and v₃ for triplet methylene (X̃ ³B₁ CH₂) and the determination of the vibrationless singlet-triplet splitting T _e(ã ¹A₁)

A.D. McLean, P.R. Bunker, et al.

The Journal of Chemical Physics

Paper

Symmetry breaking in molecular calculations and the reliable prediction of equilibrium geometries. The formyloxyl radical as an example

A.D. McLean, B.H. Lengsfield III, et al.

The Journal of Chemical Physics

Paper

Electron Correlation and Basis Set Effects on the Relative Stabilities of Classical and Nonclassical Structures of the 2-Norbornyl Cation

M. Yoshimine, A.D. McLean, et al.

JACS

Paper

Ab initio calculation of argon-argon potential

A.D. McLean, B. Liu, et al.

The Journal of Chemical Physics

View all publications