Karl Jug - researchr alias

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Viewing Publication 1 - 16 from 16

2008

Influence of intrinsic defects on the properties of zinc oxideKarl Jug, Viatcheslav A. Tikhomirov. jcc, 29(13):2250-2254, 2008. [doi]

2006

Anion substitution in zinc chalcogenidesKarl Jug, Viatcheslav A. Tikhomirov. jcc, 27(10):1088-1092, 2006. [doi]

2004

Models for the treatment of crystalline solids and surfacesKarl Jug, Thomas Bredow. jcc, 25(13):1551-1567, 2004. [doi]

Molecular dynamics implementation in MSINDO: Study of silicon clustersNisanth N. Nair, Thomas Bredow, Karl Jug. jcc, 25(10):1255-1263, 2004. [doi]

2003

Bond energies for molecules, clusters, and deposit systemsKarl Jug, Gerald Geudtner. jcc, 24(16):2013-2022, 2003. [doi]

2002

Mechanism for large first hyperpolarizabilities of phosphonic acid stilbene derivativesPatrizia Calaminici, Karl Jug, Andreas M. Köster, Cécile Arbez-Gindre, Constantinos G. Screttas. jcc, 23(2):291-297, 2002. [doi]

2001

Development of the cyclic cluster approach for ionic systemsThomas Bredow, Gerald Geudtner, Karl Jug. jcc, 22(1):89-101, 2001. [doi]

MSINDO parameterization for third-row transition metalsThomas Bredow, Gerald Geudtner, Karl Jug. jcc, 22(8):861-887, 2001. [doi]

2000

MSINDO parameterization for third-row main group elementsKarl Jug, Gerald Geudtner, Thorsten Homann. jcc, 21(11):974-987, 2000. [doi]

1999

Consistent modifications of SINDO1: II. Applications to first- and second-row elementsBernd Ahlswede, Karl Jug. jcc, 20(6):572-578, 1999. [doi]

Consistent modifications of SINDO1: I. Approximations and parametersBernd Ahlswede, Karl Jug. jcc, 20(6):563-571, 1999. [doi]

Treatment of reactions in solutions with isodensity surfacesKarl Jug, Christian Kölle, Frank Neumann. jcc, 20(3):301-304, 1999. [doi]

1997

Approximate molecular electrostatic potentials from semiempirical wavefunctionsMatthias Krack, Andreas M. Köster, Karl Jug. jcc, 18(3):301-312, 1997. [doi]

Solvation effects in SINDO1: Application to organic moleculesChristian Kölle, Karl Jug. jcc, 18(1):1-8, 1997. [doi]

1995

SINDO1 Study of the Photoreaction of Tetramethylene SulfoneHeiko Gerwens, Karl Jug. jcc, 16(4):405-413, 1995.

1993

Treatment of hydrogen bonding in SINDO1Karl Jug, Gerald Geudtner. jcc, 14(6):639-646, 1993. [doi]

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