Probing the electronic structures and properties of neutral and anionic ScSi n (0,−1) (n = 1–6) clusters using ccCA-TM and G4 theory

Molecular spectra and molecular structure, iv, constants of diatomic molecules

W.J. Orville-Thomas · Journal of Molecular Structure · 1980 · 2.1K citations

Diatomic Molecules, Molecular Spectroscopy, Natural Sciences +7

Systematically convergent basis sets for transition metals. I. All-electron correlation consistent basis sets for the 3d elements Sc–Zn

Nikolai B. Balabanov, Kirk A. Peterson · The Journal of Chemical Physics · 2005 · 1.5K citations

Engineering, Convergent Basis Sets, Computational Chemistry +18

Theoretical study of small silicon clusters: Equilibrium geometries and electronic structures of Si<i>n</i> (<i>n</i>=2–7,10)

Krishnan Raghavachari · The Journal of Chemical Physics · 1986 · 496 citations

Engineering, Chemistry, Silicon On Insulator +18

Bonding and stabilities of small silicon clusters: A theoretical study of Si7–Si1

Krishnan Raghavachari, Celeste McMichael Rohlfing · The Journal of Chemical Physics · 1988 · 467 citations

Materials Science, Semiconductors, Cluster Science +14

Formation of Metal-Encapsulating Si Cage Clusters

Hidefumi Hiura, Takehide Miyazaki, Toshihiko Kanayama · Physical Review Letters · 2001 · 459 citations

Materials Science, Inorganic Chemistry, Cluster Science +15