Showing results (1-10 of 168) with videos related to
Sort By:
Pageof 17
The Journal of Chemical Physics|July 23, 2004
Accurate theoretical near-equilibrium potential energy and dipole moment surfaces of HgClO and HgBrONikolai B Balabanov, Kirk A PetersonThe Journal of Chemical Physics|September 1, 2006
Basis set limit electronic excitation energies, ionization potentials, and electron affinities for the 3d transition metal atoms: Coupled cluster and multireference methodsNikolai B Balabanov, Kirk A PetersonThe Journal of Chemical Physics|August 27, 2005
Systematically convergent basis sets for transition metals. I. All-electron correlation consistent basis sets for the 3d elements Sc-ZnNikolai B Balabanov, Kirk A PetersonThe Journal of Physical Chemistry. A|July 13, 2006
Ab initio thermochemistry involving heavy atoms: an investigation of the reactions Hg + IX (X = I, Br, Cl, O)Benjamin C Shepler, Nikolai B Balabanov, Kirk A PetersonThe Journal of Physical Chemistry. A|July 13, 2006
Accurate global potential energy surface and reaction dynamics for the ground state of HgBr2Nikolai B Balabanov, Benjamin C Shepler, Kirk A PetersonThe Journal of Chemical Physics|November 6, 2007
Hg+Br-->HgBr recombination and collision-induced dissociation dynamicsBenjamin C Shepler, Nikolai B Balabanov, Kirk A PetersonThe Journal of Physical Chemistry. A|June 28, 2007
Aqueous microsolvation of mercury halide speciesBenjamin C Shepler, Ashby D Wright, Nikolai B Balabanov, et al.The Journal of Chemical Physics|October 3, 2025
Electron affinities of the actinide atoms from relativistic coupled clusterKirk A PetersonThe Journal of Chemical Physics|February 23, 2015
Correlation consistent basis sets for actinides. I. The Th and U atomsKirk A PetersonThe Journal of Chemical Physics|August 8, 2016
Correlation consistent basis sets for lanthanides: The atoms La-LuQing Lu, Kirk A PetersonPageof 17