Sándor Kristyán

Can (semi)local density functional theory account for the London dispersion forces?

Sándor Kristyán, Péter Pulay · Chemical Physics Letters · 1994 · 1K citations

Non-local Interaction, Physics, London Dispersion Forces +2

Ab Initio MO Study of the Unimolecular Decomposition of the Phenyl Radical

L. K. Madden, Lyudmila V. Moskaleva, Sándor Kristyán et al. · The Journal of Physical Chemistry A · 1997 · 82 citations

C6h5 Radical, Phenyl Radical, Engineering +12

Low temperature oxidation of CO over tin-modified Pt/SiO2 catalysts

József L. Margitfalvi, Irina Borbáth, Mihály Hegedűs et al. · Catalysis Today · 2002 · 35 citations

Materials Science, Chemical Engineering, Engineering +3

Accurate thermochemistry from corrected Hartree-Fock results: rapid estimation of nearly experimental quality total energy using the small 6-31G(d) basis set

Sándor Kristyán, Adrienn Ruzsinszky, Gábor I. Csonka · Theoretical Chemistry Accounts · 2001 · 23 citations

Rapid Estimation, Chemical Thermodynamics, Engineering +13

Immediate estimation of correlation energy for molecular systems from the partial charges on atoms in the molecule

Sándor Kristyán · Chemical Physics · 1997 · 22 citations

Correlation Energy, Engineering, Physics +10