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program package version 7.0.1  (TURBOMOLE GmbH)

 
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    TURBOMOLE GmbH program package version 7.0.1
    Program Package Version 7.0.1, supplied by TURBOMOLE GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/program+package+version+7%2E0%2E1/software+version+7+0/10__1039_slash_c7cp03722h-27-11-10
    Average 90 stars, based on 1 article reviews
    program package version 7.0.1 - by Bioz Stars, 2026-10
    90/100 stars

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    other:

    Article Title: Comparison of classical reaction paths and tunneling paths studied with the semiclassical instanton theory
    Article Snippet: DFT energies, gradients and second derivatives were calculated in the Turbomole program package version 7.0.1.99 SCF energies were iterated until the energy of two successive iterations changes by less than 1.0 ·10−9 a.u. on the m5 multigrid.100 First and second derivatives with respect to the nuclear coordinates (gradients and Hessians) are calculated analytically.



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    program package version 7.0.1  (TURBOMOLE GmbH)
    90
    TURBOMOLE GmbH program package version 7.0.1
    Program Package Version 7.0.1, supplied by TURBOMOLE GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/program+package+version+7%2E0%2E1/software+version+7+0/10__1039_slash_c7cp03722h-27-11-10
    Average 90 stars, based on 1 article reviews
    program package version 7.0.1 - by Bioz Stars, 2026-10
    90/100 stars
    		  Buy from Supplier

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