Pitt Quantum Repository
Names
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Pitt Quantum Repository
metasource: re3data.org
version: re3data.org: Pitt Quantum Repository; editing status 2020-08-20; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R31NJMPD last accessed: 2022-11-04
PQR
metasource: re3data.org
version: re3data.org: Pitt Quantum Repository; editing status 2020-08-20; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R31NJMPD last accessed: 2022-11-04
Names
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Pitt Quantum Repository
metasource: re3data.orgversion: re3data.org: Pitt Quantum Repository; editing status 2020-08-20; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R31NJMPD last accessed: 2022-11-04
PQR
metasource: re3data.orgversion: re3data.org: Pitt Quantum Repository; editing status 2020-08-20; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R31NJMPD last accessed: 2022-11-04
Names
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Pitt Quantum Repository
metasource: re3data.orgversion: re3data.org: Pitt Quantum Repository; editing status 2020-08-20; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R31NJMPD last accessed: 2022-11-04
PQR
metasource: re3data.orgversion: re3data.org: Pitt Quantum Repository; editing status 2020-08-20; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R31NJMPD last accessed: 2022-11-04
PQR is an online database of molecular properties predicted from quantum mechanics with integrated capabilities for molecular visualization and data sharing. ased on the number of molecules, PQR is currently the largest open database of molecular quantum calculations. PQR features interactive high-quality rendering of molecular structures and properties on computers, tablets, and cell phones and allows to efficiently share data via digital object identifiers (DOI) and scannable QR barcodes.
Description
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PQR is an online database of molecular properties predicted from quantum mechanics with integrated capabilities for molecular visualization and data sharing. ased on the number of molecules, PQR is currently the largest open database of molecular quantum calculations. PQR features interactive high-quality rendering of molecular structures and properties on computers, tablets, and cell phones and allows to efficiently share data via digital object identifiers (DOI) and scannable QR barcodes.
metasource: re3data.orgversion: re3data.org: Pitt Quantum Repository; editing status 2020-08-20; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R31NJMPD last accessed: 2022-11-04
Webpage:
http://pqr.pitt.edu/Webpage
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http://pqr.pitt.edu/
metasource: re3data.orgversion: re3data.org: Pitt Quantum Repository; editing status 2020-08-20; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R31NJMPD last accessed: 2022-11-04
Licence:
Name: otherLicence name
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other
metasource: re3data.orgversion: re3data.org: Pitt Quantum Repository; editing status 2020-08-20; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R31NJMPD last accessed: 2022-11-04
Licence URL
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https://opendatacommons.org/licenses/odbl/summary/
metasource: re3data.orgversion: re3data.org: Pitt Quantum Repository; editing status 2020-08-20; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R31NJMPD last accessed: 2022-11-04
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mopac program package
metasource: re3data.org
version: re3data.org: Pitt Quantum Repository; editing status 2020-08-20; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R31NJMPD last accessed: 2022-11-04
pm6 semiempirical quantum chemical model
metasource: re3data.org
version: re3data.org: Pitt Quantum Repository; editing status 2020-08-20; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R31NJMPD last accessed: 2022-11-04
quantum mechanics
metasource: re3data.org
version: re3data.org: Pitt Quantum Repository; editing status 2020-08-20; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R31NJMPD last accessed: 2022-11-04
Tags
More detailed information about this field from each metasource.
mopac program package
metasource: re3data.orgversion: re3data.org: Pitt Quantum Repository; editing status 2020-08-20; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R31NJMPD last accessed: 2022-11-04
pm6 semiempirical quantum chemical model
metasource: re3data.orgversion: re3data.org: Pitt Quantum Repository; editing status 2020-08-20; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R31NJMPD last accessed: 2022-11-04
quantum mechanics
metasource: re3data.orgversion: re3data.org: Pitt Quantum Repository; editing status 2020-08-20; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R31NJMPD last accessed: 2022-11-04
mopac program package pm6 semiempirical quantum chemical model quantum mechanics
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