activity
19982007
most citedDevelopment of Novel Density Functionals for Thermochemical Kinetics

1.5k citations · 3.4k across the 9 of their papers we have counts for

collaborators
Showing 2001Show all

1 paper · 1 filter

physics.chem-ph2001

Definitive heat of formation of methylenimine, CH2=NH, and of methylenimmonium ion, CH2NH2+, by means of W2 theory

Glenisson de Oliveira, Jan M. L. Martin, Indira K. C. Silwal +1

A long-standing controversy concerning the heat of formation of methylenimine has been addressed by means of the W2 (Weizmann-2) ab initio thermochemical approach. Our best calcula…