CORRELATES OF THE FUNCTIONAL STRUCTURE OF URBAN RETAIL AREAS: AN APPROACH EMPLOYING MULTIVARIATE ORDINATION

Electron correlation and the structure o

Electron correlation and the structure of 1- and 2-hydrotrioxy. An ab initio and density functional approach

✍ Mark A. Vincent; Ian H. Hillier; Neil A. Burton 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 282 KB

The predicted structures of the 1-and 2-hydrotrioxy radical are similar at the Brueckner doubles and density functional (B-LYP) levels of theory, but differ from those found using ab initio methods employing a lower level of electron correlation.