Oxidation state and covalency in f-element metallocenes (M = Ce, Th, Pu): a combined CASSCF and topological study

Covalency in f-element complexes

(2012) Michael L. Neidig et al.   COORDINATION CHEMISTRY REVIEWS

Does Covalency Increase or Decrease across the Actinide Series? Implications for Minor Actinide Partitioning

(2012) Nikolas Kaltsoyannis   INORGANIC CHEMISTRY

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

All-electron CASPT2 study of Ce(η8–C8H6)2

(2010) Andrew Kerridge et al.   COMPTES RENDUS CHIMIE

Covalency in AnCp4 (An = Th–Cm): a comparison of molecular orbital, natural population and atoms-in-molecules analyses

(2010) Matthew J. Tassell et al.   DALTON TRANSACTIONS

Does covalency really increase across the 5f series? A comparison of molecular orbital, natural population, spin and electron density analyses of AnCp3(An = Th–Cm; Cp = η5-C5H5)

(2010) Ian Kirker et al.   DALTON TRANSACTIONS

MOLCAS 7: The Next Generation

(2009) Francesco Aquilante et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Are the Ground States of the Later Actinocenes Multiconfigurational? All-Electron Spin−Orbit Coupled CASPT2 Calculations on An(η8-C8H8)2(An = Th, U, Pu, Cm)

(2009) Andrew Kerridge et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Is Cerocene Really a Ce(III) Compound? All-Electron Spin−Orbit Coupled CASPT2 Calculations on M(η8-C8H8)2(M = Th, Pa, Ce)

(2009) Andrew Kerridge et al.   JOURNAL OF PHYSICAL CHEMISTRY A

New Relativistic Atomic Natural Orbital Basis Sets for Lanthanide Atoms with Applications to the Ce Diatom and LuF3

(2008) Björn O. Roos et al.   JOURNAL OF PHYSICAL CHEMISTRY A