2008 |
16 | EE | Karl Jug,
Viatcheslav A. Tikhomirov:
Influence of intrinsic defects on the properties of zinc oxide.
Journal of Computational Chemistry 29(13): 2250-2254 (2008) |
2006 |
15 | EE | Karl Jug,
Viatcheslav A. Tikhomirov:
Anion substitution in zinc chalcogenides.
Journal of Computational Chemistry 27(10): 1088-1092 (2006) |
2004 |
14 | EE | Nisanth N. Nair,
Thomas Bredow,
Karl Jug:
Molecular dynamics implementation in MSINDO: Study of silicon clusters.
Journal of Computational Chemistry 25(10): 1255-1263 (2004) |
13 | EE | Karl Jug,
Thomas Bredow:
Models for the treatment of crystalline solids and surfaces.
Journal of Computational Chemistry 25(13): 1551-1567 (2004) |
2003 |
12 | EE | Karl Jug,
Gerald Geudtner:
Bond energies for molecules, clusters, and deposit systems.
Journal of Computational Chemistry 24(16): 2013-2022 (2003) |
2002 |
11 | 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) |
2001 |
10 | EE | Thomas Bredow,
Gerald Geudtner,
Karl Jug:
Development of the cyclic cluster approach for ionic systems.
Journal of Computational Chemistry 22(1): 89-101 (2001) |
9 | EE | Thomas Bredow,
Gerald Geudtner,
Karl Jug:
MSINDO parameterization for third-row transition metals.
Journal of Computational Chemistry 22(8): 861-887 (2001) |
2000 |
8 | EE | Karl Jug,
Gerald Geudtner,
Thorsten Homann:
MSINDO parameterization for third-row main group elements.
Journal of Computational Chemistry 21(11): 974-987 (2000) |
7 | EE | Karl Jug,
Daniel Wichmann:
MSINDO study of large silsesquioxanes.
Journal of Computational Chemistry 21(16): 1549-1553 (2000) |
1999 |
6 | EE | Karl Jug,
Christian Kölle,
Frank Neumann:
Treatment of reactions in solutions with isodensity surfaces.
Journal of Computational Chemistry 20(3): 301-304 (1999) |
5 | EE | Bernd Ahlswede,
Karl Jug:
Consistent modifications of SINDO1: I. Approximations and parameters.
Journal of Computational Chemistry 20(6): 563-571 (1999) |
4 | EE | Bernd Ahlswede,
Karl Jug:
Consistent modifications of SINDO1: II. Applications to first- and second-row elements.
Journal of Computational Chemistry 20(6): 572-578 (1999) |
1997 |
3 | EE | Christian Kölle,
Karl Jug:
Solvation effects in SINDO1: Application to organic molecules.
Journal of Computational Chemistry 18(1): 1-8 (1997) |
2 | EE | Matthias Krack,
Andreas M. Köster,
Karl Jug:
Approximate molecular electrostatic potentials from semiempirical wavefunctions.
Journal of Computational Chemistry 18(3): 301-312 (1997) |
1995 |
1 | | Heiko Gerwens,
Karl Jug:
SINDO1 Study of the Photoreaction of Tetramethylene Sulfone.
Journal of Computational Chemistry 16(4): 405-413 (1995) |