Thomas Schultz
Research Topics
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Molecules and Clusters
Research Group
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Thomas Schultz
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Elena Samoylova
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Yuliya Rulyk
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Kyriaki Kosma
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Andrea Lübcke
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Christian Schröter
Collaborators
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Group Rainer Weinkauf
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Group Letitia Gonzales
Publications
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1994-1999 (ETH Zürich)
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1999-2003 (NRC Canada)
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2003-current (MBI Berlin)
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All
Useful Bits
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Ab initio tools
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Software tools
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News
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Personal News
Lecture Bio-Spectroscopy
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General Information
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Script Ch. 1
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Script Ch. 2
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Script Ch. 3
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Script Ch. 4
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Script Ch. 5
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Script Ch. 6
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Sample files
Lecture Echem
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Allgemeine Informationen
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Vorlesungsskript
Ab initio packages for starters
Ab initio code
Ab initio code for starters
PCGamess: Ab initio code for your Windows PC
MacMolplt: Nice visualization of Gamess output
Arguslab: Visualize or draw molecules,
optimize with molecular dynamics,
useful to generate starting geometries
Mopac: Molecular dynamics and semiempirical methods
