Theoretical evaluation of mixed N-, O- donor based TMPhenDA ligand in selective complexation with actinide (III) ions over lanthanide (III) ions

Chemistry with ADF

G. te Velde, F. Matthias Bickelhaupt, Evert Jan Baerends et al. · Journal of Computational Chemistry · 2001 · 10K citations

Natural Sciences, Chemistry, Physics +17

An introduction to hydrogen bonding

Choice Reviews Online · 1998 · 6.3K citations

Natural Sciences, Chemistry, Physics +17

Relativistic regular two-component Hamiltonians

Erik van Lenthe, Evert Jan Baerends, J. G. Snijders · The Journal of Chemical Physics · 1993 · 4.4K citations

Natural Sciences, Physics, Mathematical Physics +11

A new energy decomposition scheme for molecular interactions within the Hartree‐Fock approximation

Kazuo Kitaura, Keiji Morokuma · International Journal of Quantum Chemistry · 1976 · 2.1K citations

Natural Sciences, Chemistry, Physics +12

Relativistic regular two-component Hamiltonians

Erik van Lenthe, Robert van Leeuwen, Evert Jan Baerends et al. · International Journal of Quantum Chemistry · 1996 · 1.1K citations

Natural Sciences, Physics, Mathematical Physics +11