skip to main content
US FlagAn official website of the United States government
dot gov icon
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
https lock icon
Secure .gov websites use HTTPS
A lock ( lock ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

Explore Research Products in the PAR
It may take a few hours for recently added research products to appear in PAR search results.


  • Home
  • Search Results
  • Page 1 of 1

Search for: All records

Creators/Authors contains: "Colon, A"

Note: When clicking on a Digital Object Identifier (DOI) number, you will be taken to an external site maintained by the publisher. Some full text articles may not yet be available without a charge during the embargo (administrative interval).
What is a DOI Number?

Some links on this page may take you to non-federal websites. Their policies may differ from this site.

  1. ; ; ; ; ; ; (, ChemRxiv)
    In the discovery process of new drugs and the development of novel therapies in medicine, computational modeling is a complementary tool for the design of new molecules by predicting for example their solubility in different solvents. Here, we benchmarked several computational methods to calculate the partition coefficients of a diverse set of 161 organic molecules with experimental logP values obtained from the literature. In general, density functional theory methods yielded the best correlations and lower average deviations. Although results are obtained faster with semiempirical and molecular mechanics methodologies, these methods yielded higher average deviations and lower correlation coefficients than hybrid density functional theory methods. We recommend the use of an empirical formula to correct the calculated values with each methodology tested. 
    more » « less
    Full Text Available 
  2. ; ; ; ; ; ; ; ; ; ; et al (, Journal of Physics: Conference Series)
    Abstract The search for a dark photon holds considerable interest in the physics community. Such a force carrier would begin to illuminate the dark sector. Many experiments have searched for such a particle, but so far it has proven elusive. In recent years the concept of a low mass dark photon has gained popularity in the physics community. Of particular recent interest is the 8 Be and 4 He anomaly, which could be explained by a new fifth force carrier with a mass of 17 MeV/ c 2 . The proposed Darklight experiment would search for this potential low mass force carrier at ARIEL in the 10-20 MeV/ c 2 e + e − invariant mass range. This proceeding will focus on the experimental design and physics case of the Darklight experiment. 
    more » « less
    Full Text Available