2008 |
9 | EE | Christoph R. Jacob,
Johannes Neugebauer,
Lucas Visscher:
A flexible implementation of frozen-density embedding for use in multilevel simulations.
Journal of Computational Chemistry 29(6): 1011-1018 (2008) |
2006 |
8 | EE | André Severo Pereira Gomes,
André Merzky,
Lucas Visscher:
A Framework for Execution of Computational Chemistry Codes in Grid Environments.
International Conference on Computational Science (3) 2006: 97-104 |
7 | EE | Ivan Infante,
Bas van Stralen,
Lucas Visscher:
A QM/MM study on the aqueous solvation of the tetrahydroxouranylate [UO2(OH)4]2- complex ion.
Journal of Computational Chemistry 27(11): 1156-1162 (2006) |
2004 |
6 | EE | Ivan Infante,
Lucas Visscher:
QM/MM study of aqueous solvation of the uranyl fluoride [UO2F42-] complex.
Journal of Computational Chemistry 25(3): 386-392 (2004) |
2003 |
5 | EE | Markus Pernpointner,
Lucas Visscher:
Parallelization of four-component calculations. II. Symmetry-driven parallelization of the 4-Spinor CCSD algorithm.
Journal of Computational Chemistry 24(6): 754-759 (2003) |
2002 |
4 | EE | Lucas Visscher:
The Dirac equation in quantum chemistry: Strategies to overcome the current computational problems.
Journal of Computational Chemistry 23(8): 759-766 (2002) |
2000 |
3 | EE | Markus Pernpointner,
Lucas Visscher,
W. A. de Jong,
Ria Broer:
Parallelization of four-component calculations. I. Integral generation, SCF, and four-index transformation in the Dirac-Fock package MOLFDIR.
Journal of Computational Chemistry 21(13): 1176-1186 (2000) |
1999 |
2 | EE | Lucas Visscher,
Thomas Enevoldsen,
Trond Saue,
Hans Jorgen Aagard Jensen,
Jens Oddershede:
Full four-component relativistic calculations of NMR shielding and indirect spin-spin coupling tensors in hydrogen halides.
Journal of Computational Chemistry 20(12): 1262-1273 (1999) |
1997 |
1 | EE | Jacek Styszynki,
Xiaoping Cao,
Gulzari L. Malli,
Lucas Visscher:
Relativistic all-electron Dirac-Fock-Breit calculations on xenon fluorides (XeFn, n = 1, 2, 4, 6).
Journal of Computational Chemistry 18(5): 601-608 (1997) |