Oxford University Press / Pearson / Toro / Pople J A 1986 Ab / One HF / Gaussian Inc. / Stephens / Suzuki / Schlegel H B 1987 Ab / John Wiley & Sons / /
Country
Spain / / /
Facility
stable HOMO / /
IndustryTerm
energy barrier / chemical reactivity / chemical systems / chemical reactions / constant chemical potential / fundamental chemical reactivity principles / energy profiles / proper energy profile / potential energy profile / chemical system / chemical processes / potential energy / pathological systems / ionization potential energy / chemical potential / energy profile / potential energy surfaces / potential energy surface / energy changes / electronic energy / chemical species / chemical relevant stationary points / energy / /
MusicGroup
Energy / /
Organization
Institut de Química Computacional / Indian Academy of Sciences / Universitat de Girona / Oxford University / Catalonia Supercomputer Center / /
J. Chem. Sci., Vol. 117, No. 5, September 2005, pp. 549–554. © Indian Academy of Sciences. Basis set effects on the energy and hardness profiles of the hydrogen fluoride dimer