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Jobex: Structure Optimization and Molecular Dynamics
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Is TZVP a proper basis set for ionic compound during optimization?
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Topic: Is TZVP a proper basis set for ionic compound during optimization? (Read 6190 times)
Guangyue
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Is TZVP a proper basis set for ionic compound during optimization?
«
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June 30, 2009, 07:29:34 AM »
Hi,
Is TZVP a proper basis set for ionic compound during optimization?
Thanks for attention!
Guangyue
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TURBOMOLE Users Forum
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Jobex: Structure Optimization and Molecular Dynamics
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Is TZVP a proper basis set for ionic compound during optimization?