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Fundamental and Computational Sciences Directorate

Staff information

Neil Henson

Chemist
Pacific Northwest National Laboratory
PO Box 999
MSIN: J4-50
Richland, WA 99352

PNNL Publications

2024

2023

  • Grubel K., W.S. Rosenthal, S. Autrey, N.J. Henson, K. Koh, S.E. Flowers, and T.A. Blake. 2023. "SN2 Solution Phase Kinetics for Iodoalkane-DABCO Reactions: An Experimental, Computational and Uncertainty Analysis Study." Physical Chemistry Chemical Physics 25, no. 9:6914-6926. PNNL-SA-179160. doi:10.1039/d2cp05286e
  • Smith N.P., L.R. Hubbard, M.J. Lonsway, J.H. Wahl, and N.J. Henson. 2023. "Initial Dynamic Photoactive Materials Testing of an Atmospheric Chamber Intended for Radioactive and Hazardous Gases." MRS Advances 8. PNNL-SA-186294. doi:10.1557/s43580-023-00708-w

2021

2020

  • Bilbrey J.A., C.M. Ortiz Marrero, M. Sassi, A.M. Ritzmann, N.J. Henson, and M. Schram. 2020. "Tracking the chemical evolution of iodine species using recurrent neural networks." ACS Omega 5, no. 9:4588-4594. PNNL-SA-148824. doi:10.1021/acsomega.9b04104
  • Sassi M., A.M. Ritzmann, and N.J. Henson. 2020. "Consequences of 131I transmutation in gas phase radioiodine molecules and adsorbed on graphite surface." Journal of Physical Chemistry C 124, no. 39:21461-21466. PNNL-SA-153560. doi:10.1021/acs.jpcc.0c05928

2018

  • Garrett K.E., A.M. Ritzmann, F.N. Smith, S.H. Kessler, R. Devanathan, N.J. Henson, and D.G. Abrecht. 2018. "First principles investigation of the structural and bonding properties of hydrated actinide (IV) oxalates, An(C2O4)2·6H2O (An = U, Pu)." Computational Materials Science 153. PNNL-SA-133111. doi:10.1016/j.commatsci.2018.06.033
  • Garrett K.E., D.G. Abrecht, S.H. Kessler, N.J. Henson, R. Devanathan, J.M. Schwantes, and D.D. Reilly. 2018. "Carbon diffusion in molten uranium: an ab initio molecular dynamics study." Modelling and Simulation in Materials Science and Engineering 26, no. 3:Article No. 035013. PNNL-SA-129429. doi:10.1088/1361-651X/aaad72

2014

  • Matanovic I., F. Garzon, and N.J. Henson. 2014. "Electro-Reduction of Nitrogen on Molybdenum Nitride: Structure, Energetics, and Vibrational Spectra from DFT." Physical Chemistry Chemical Physics. PCCP 16, no. 7:3014-3026. doi:10.1039/c3cp54559h
  • Matanovic I., P. Atanassov, B. Kiefer, F. Garzon, and N.J. Henson. 2014. "Applicability of Density Functional Theory in Reproducing Accurate Vibrational Spectra of Surface Bound Species." Journal of Computational Chemistry 35, no. 26:1921-1929. doi:10.1002/jcc.23707

2013

  • Matanovic I., P. Kent, F. Garzon, and N.J. Henson. 2013. "Density Functional Study of the Structure, Stability and Oxygen Reduction Activity of Ultrathin Platinum Nanowires." Journal of the Electrochemical Society 160, no. 6:F548-F553. doi:10.1149/2.047306jes

2012

  • Matanovic I., P. Kent, F. Garzon, and N.J. Henson. 2012. "Density Functional Theory Study of Oxygen Reduction Activity on Ultrathin Platinum Nanotubes." Journal of Physical Chemistry C 116, no. 31:16499-16510. doi:10.1021/jp3035456
  • Matanovic I., P. Kent, F. Garzon, and N.J. Henson. 2012. "Theoretical Study of the Structure, Stability and Oxygen Reduction Activity of Ultrathin Platinum Nanowires." ECS Transactions 50, no. 2:1385-1395. doi:10.1149/05002.1385ecst

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