Relativistic pseudo-potential analysis of the weak Au(I)…Au(I) attraction

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Samuel Francis Boys, Fernando Bernardi · Molecular Physics · 1970 · 22K citations

Natural Sciences, Chemistry, Physics +10

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 13.7K citations

Natural Sciences, Chemistry, Physics +16

Relativistic effects in gold chemistry. I. Diatomic gold compounds

Peter Schwerdtfeger, Michael Dolg, W. H. Eugen Schwarz et al. · The Journal of Chemical Physics · 1989 · 825 citations · Full text

Natural Sciences, Chemistry, Physics +17

Homoatomic d¹⁰–d¹⁰Interactions: Their Effects on Structure and Chemical and Physical Properties

Martin Jansen · Angewandte Chemie International Edition in English · 1987 · 652 citations

Natural Sciences, Chemistry, Physics +17

<i>Ab initio</i> relativistic effective potentials with spin-orbit operators. I. Li through Ar

Luis F. Pacios, P. A. Christiansen · The Journal of Chemical Physics · 1985 · 649 citations

Natural Sciences, Chemistry, Physics +12