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ZENODO
Dataset . 2017
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image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Dataset . 2017
License: CC BY
Data sources: Datacite
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ZENODO
Dataset . 2017
License: CC BY
Data sources: ZENODO
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Dataset . 2017
License: CC BY
Data sources: Datacite
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ZENODO
Dataset . 2017
License: CC BY
Data sources: Datacite
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ZENODO
Dataset . 2017
License: CC BY
Data sources: ZENODO
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Alexandria Library

Authors: Ghahremanpour, Mohammad Mehdi; van Maaren, Paul; van der Spoel, David;

Alexandria Library

Abstract

The Alexandria library is as an open access quantum-chemical database containing optimized molecular structures, frequencies, thermochemistry, polarizability and electrostatic moments for organic and inorganic molecules. The name Alexandria highlights that we aim to collect "all" knowledge in the world, old and new, on molecular properties, just like the legendary library of Alexandria, since availability of data rapidly declines with time. This library will assist systematic development and training of empirical force fields for a broad range of molecules.

The Swedish research council is acknowledged for financial support to DvdS (grants 2013-5947, 2020-05059) and for grants of computer time (SNIC2015-16-33, SNIC2016-34-44, SNIC 2020-3-8, SNIC 2021-3-8) through the High Performance Computing Center North in Ume��, Sweden.

Related Organizations
Keywords

Computational Chemistry, Empirical Force Fields, Molecular Simulation, Quantum Mechanics

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selected citations
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This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
views
OpenAIRE UsageCountsViews provided by UsageCounts
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5
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46
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