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ZENODO
Dataset . 2018
License: CC BY
Data sources: Datacite
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 . 2018
License: CC BY
Data sources: Datacite
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 . 2018
License: CC BY
Data sources: ZENODO
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Embedding Potentials Of Aqueous Formamide

Authors: Hršak, Dalibor; Olsen, Jógvan Magnus Haugaard; Kongsted, Jacob;

Embedding Potentials Of Aqueous Formamide

Abstract

M0P2 and M2P2 embedding potentials for polarizable density embedding and polarizable embedding calculations based on rigid body MD trajectories of aqueous formamide.. Only solvent molecules within the radius of 12 Å from the solute were considered. The potentials were calculated with the B3LYP/aug-cc-pVDZ method in the Molcas 8.2 program using the LoProp approach. Before the local property calculations the basis set has been recontracted to atomic natural orbital form. The MD simulation on formamide was reported in http://dx.doi.org/10.1021/ja990064d.

{"references": ["Aquilante et al. \"MOLCAS 7: The Next Generation\", J. Comput. Chem., 31, 224 (2010)", "Gagliardi, Lindh, Karlstr\u00f6m \"Local properties of quantum chemical systems: The LoProp approach\", 121, 4494 (2004)", "Sneskov, Matito, Kongsted, Christiansen \"Approximate Inclusion of Triple Excitations in Combined Coupled Cluster/Molecular Mechanics: Calculations of Electronic Excitation Energies in Solution for Acrolein, Water, Formamide, and N-Methylacetamide\" , J. Chem. Theory Comput., 6, 839 (2010)"]}

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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.
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influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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