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Jobex: Structure Optimization and Molecular Dynamics
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doublet excited state optimization
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Topic: doublet excited state optimization (Read 7413 times)
lyzhu
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doublet excited state optimization
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on:
December 15, 2009, 04:50:42 PM »
Dear All,
Can we do the doublet excited state optimization in Turbomole? Thanks!
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TURBOMOLE Users Forum
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TURBOMOLE Modules
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Jobex: Structure Optimization and Molecular Dynamics
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doublet excited state optimization