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Structured Review

TURBOMOLE GmbH program code version 7.7.1
Program Code Version 7.7.1, 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+code+version+7%2E7%2E1/program+package+v7+3/pm40539990-272-55-54
Average 90 stars, based on 1 article reviews
program code version 7.7.1 - by Bioz Stars, 2026-09
90/100 stars

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Related Articles

Nuclear Magnetic Resonance:

Article Title: Structural Transition from Closed to Open for the Influenza A M2 Proton Channel as Observed by Proton-Detected Solid-State NMR.
Article Snippet: We note in passing that this setup is similar to automated fragmentation QM/MM and (field-adapted) adjustable density matrix assembler-based NMR protocols developed in the past.85−88 All QM NMR calculations were performed on TPSS89 level of theory in its current-density functional generalization via the Dobson model for the kinetic energy density,90,91 as implemented in the Turbomole program code version 7.7.1..92,93 Central and near-field QM atoms are treated with the pcSseg-2 basis, far-field QM atoms use pcSseg-1 basis sets,94 in all cases “universal” auxiliary basis sets are employed.95 The resolution of the identity within its multipole accelerated implementation is used for the Coulomb interactions https://doi.org/10.1021/jacs.5c05111 J.

Functional Assay:

Article Title: Structural Transition from Closed to Open for the Influenza A M2 Proton Channel as Observed by Proton-Detected Solid-State NMR.
Article Snippet: We note in passing that this setup is similar to automated fragmentation QM/MM and (field-adapted) adjustable density matrix assembler-based NMR protocols developed in the past.85−88 All QM NMR calculations were performed on TPSS89 level of theory in its current-density functional generalization via the Dobson model for the kinetic energy density,90,91 as implemented in the Turbomole program code version 7.7.1..92,93 Central and near-field QM atoms are treated with the pcSseg-2 basis, far-field QM atoms use pcSseg-1 basis sets,94 in all cases “universal” auxiliary basis sets are employed.95 The resolution of the identity within its multipole accelerated implementation is used for the Coulomb interactions https://doi.org/10.1021/jacs.5c05111 J.



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TURBOMOLE GmbH program code version 7.7.1
Program Code Version 7.7.1, 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+code+version+7%2E7%2E1/program+package+v7+3/pm40539990-272-55-54
Average 90 stars, based on 1 article reviews
program code version 7.7.1 - by Bioz Stars, 2026-09
90/100 stars
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