Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the 7p elements, with atomic and molecular applications

Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the 6d elements Rf–Cn

(2011) Kenneth G. Dyall   THEORETICAL CHEMISTRY ACCOUNTS

Theoretical predictions of trends in spectroscopic properties of homonuclear dimers and volatility of the 7p elements

(2010) V. Pershina et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical predictions of trends in spectroscopic properties of gold containing dimers of the 6p and 7p elements and their adsorption on gold

(2010) V. Pershina et al.   JOURNAL OF CHEMICAL PHYSICS

Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the lanthanides La–Lu

(2010) André S. P. Gomes et al.   THEORETICAL CHEMISTRY ACCOUNTS

Electron affinity of element 114, with comparison to Sn and Pb

(2009) Anastasia Borschevsky et al.   CHEMICAL PHYSICS LETTERS

Electronic structures and properties of MAu and MOH, where M = Tl and element 113

(2009) V. Pershina et al.   CHEMICAL PHYSICS LETTERS

Kinetic and Thermodynamic Stability of the Group 13 Trihydrides

(2009) Brian Vest et al.   INORGANIC CHEMISTRY

An Atomic Counterpoise Method for Estimating Inter- and Intramolecular Basis Set Superposition Errors

(2009) Frank Jensen   Journal of Chemical Theory and Computation

Relativistic Double-Zeta, Triple-Zeta, and Quadruple-Zeta Basis Sets for the 4s, 5s, 6s, and 7s Elements†

(2009) Kenneth G. Dyall   JOURNAL OF PHYSICAL CHEMISTRY A

Revised relativistic basis sets for the 5d elements Hf–Hg

(2009) Kenneth G. Dyall et al.   THEORETICAL CHEMISTRY ACCOUNTS

Adsorption of inert gases including element 118 on noble metal and inert surfaces from ab initio Dirac–Coulomb atomic calculations

(2008) V. Pershina et al.   JOURNAL OF CHEMICAL PHYSICS

The excitation energies, ionization potentials, and oscillator strengths of neutral and ionized species of Uuq (Z=114) and the homolog elements Ge, Sn, and Pb

(2008) Y. J. Yu et al.   JOURNAL OF CHEMICAL PHYSICS

Atomic Properties of Element 113 and Its Adsorption on Inert Surfaces fromab InitioDirac−Coulomb Calculations

(2008) V. Pershina et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Relativistic and electron correlation effects in static dipole polarizabilities for the group-14 elements from carbon to elementZ=114: Theory and experiment

(2008) Christian Thierfelder et al.   PHYSICAL REVIEW A