The enthalpy of formation of trioxy radicals ROOO (R H, CH3, C2H5). An ab initio study

A complete basis set model chemistry. IV. An improved atomic pair natural orbital method

John A. Montgomery, Joseph W. Ochterski, George A. Petersson · The Journal of Chemical Physics · 1994 · 780 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +11

Modification of the<scp>g</scp><scp>a</scp><scp>u</scp><scp>s</scp><scp>s</scp><scp>i</scp><scp>a</scp><scp>n</scp><scp>−</scp><scp>2</scp>theoretical model: The use of coupled-cluster energies, density-functional geometries, and frequencies

Alexander M. Mebel, Keiji Morokuma, M. C. Lin · The Journal of Chemical Physics · 1995 · 467 citations

Natural Sciences, Chemistry, Computational Chemistry +16

The sensitivity of B3LYP atomization energies to the basis set and a comparison of basis set requirements for CCSD(T) and B3LYP

Charles W. Bauschlicher, Harry Partridge · Chemical Physics Letters · 1995 · 296 citations

Natural Sciences, Chemistry, Physics +15

Theoretical study of the H+O3↔OH+O2↔O+HO2 system

Michel Dupuis, George Fitzgerald, B. L. Hammond et al. · The Journal of Chemical Physics · 1986 · 89 citations

Natural Sciences, Chemistry, Physics +17

Thermochemistry of organic polyoxides and their free radicals

Prakash S. Nangia, Sidney W. Benson · The Journal of Physical Chemistry · 1979 · 70 citations

Natural Sciences, Chemistry, Chemical Kinetics +6