2009 |
7 | EE | Juan I. Rodríguez,
Andreas M. Köster,
Paul W. Ayers,
Ana Santos-Valle,
Alberto Vela,
Gabriel Merino:
An efficient grid-based scheme to compute QTAIM atomic properties without explicit calculation of zero-flux surfaces.
Journal of Computational Chemistry 30(7): 1082-1092 (2009) |
2008 |
6 | EE | Florian Janetzko,
Thomas Bredow,
Gerald Geudtner,
Andreas M. Köster:
Boron-doped diamond: Investigation of the stability of surface-doping versus bulk-doping using cyclic cluster model calculations.
Journal of Computational Chemistry 29(13): 2295-2301 (2008) |
2006 |
5 | EE | Gerald Geudtner,
Florian Janetzko,
Andreas M. Köster,
Alberto Vela,
Patrizia Calaminici:
Parallelization of the deMon2k code.
Journal of Computational Chemistry 27(4): 483-490 (2006) |
4 | EE | Roberto Flores-Moreno,
Rodrigo J. Alvarez-Mendez,
Alberto Vela,
Andreas M. Köster:
Half-numerical evaluation of pseudopotential integrals.
Journal of Computational Chemistry 27(9): 1009-1019 (2006) |
2004 |
3 | EE | J. Ulises Reveles,
Andreas M. Köster:
Geometry optimization in density functional methods.
Journal of Computational Chemistry 25(9): 1109-1116 (2004) |
2002 |
2 | EE | Patrizia Calaminici,
Karl Jug,
Andreas M. Köster,
Cécile Arbez-Gindre,
Constantinos G. Screttas:
Mechanism for large first hyperpolarizabilities of phosphonic acid stilbene derivatives.
Journal of Computational Chemistry 23(2): 291-297 (2002) |
1997 |
1 | EE | Matthias Krack,
Andreas M. Köster,
Karl Jug:
Approximate molecular electrostatic potentials from semiempirical wavefunctions.
Journal of Computational Chemistry 18(3): 301-312 (1997) |