Karl Jug

Publication Activity (10 Years)

Years Active: 1993-2008
Publications (10 Years): 0

Publications

Karl Jug, Viatcheslav A. Tikhomirov
Influence of intrinsic defects on the properties of zinc oxide. J. Comput. Chem. 29 (13) (2008)
Karl Jug, Viatcheslav A. Tikhomirov
Anion substitution in zinc chalcogenides. J. Comput. Chem. 27 (10) (2006)
Nisanth N. Nair, Thomas Bredow, Karl Jug
Molecular dynamics implementation in MSINDO: Study of silicon clusters. J. Comput. Chem. 25 (10) (2004)
Karl Jug, Thomas Bredow
Models for the treatment of crystalline solids and surfaces. J. Comput. Chem. 25 (13) (2004)
Karl Jug, Gerald Geudtner
Bond energies for molecules, clusters, and deposit systems. J. Comput. Chem. 24 (16) (2003)
Patrizia Calaminici, Karl Jug, Andreas M. Köster, Cécile Arbez-Gindre, Constantinos G. Screttas
Mechanism for large first hyperpolarizabilities of phosphonic acid stilbene derivatives. J. Comput. Chem. 23 (2) (2002)
Thomas Bredow, Gerald Geudtner, Karl Jug
MSINDO parameterization for third-row transition metals. J. Comput. Chem. 22 (8) (2001)
Thomas Bredow, Gerald Geudtner, Karl Jug
Development of the cyclic cluster approach for ionic systems. J. Comput. Chem. 22 (1) (2001)
Karl Jug, Gerald Geudtner, Thorsten Homann
MSINDO parameterization for third-row main group elements. J. Comput. Chem. 21 (11) (2000)
Karl Jug, Daniel Wichmann
MSINDO study of large silsesquioxanes. J. Comput. Chem. 21 (16) (2000)
Bernd Ahlswede, Karl Jug
Consistent modifications of SINDO1: I. Approximations and parameters. J. Comput. Chem. 20 (6) (1999)
Karl Jug, Christian Kölle, Frank Neumann
Treatment of reactions in solutions with isodensity surfaces. J. Comput. Chem. 20 (3) (1999)
Bernd Ahlswede, Karl Jug
Consistent modifications of SINDO1: II. Applications to first- and second-row elements. J. Comput. Chem. 20 (6) (1999)
Christian Kölle, Karl Jug
Solvation effects in SINDO1: Application to organic molecules. J. Comput. Chem. 18 (1) (1997)
Matthias Krack, Andreas M. Köster, Karl Jug
Approximate molecular electrostatic potentials from semiempirical wavefunctions. J. Comput. Chem. 18 (3) (1997)
Heiko Gerwens, Karl Jug
SINDO1 Study of the Photoreaction of Tetramethylene Sulfone. J. Comput. Chem. 16 (4) (1995)
Karl Jug, Gerald Geudtner
Treatment of hydrogen bonding in SINDO1. J. Comput. Chem. 14 (6) (1993)