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Showing 1201 - 1215 of 20702
Publication
Coupled cluster downfolding methods: The effect of double commutator terms on the accuracy of ground-state energies
Journal Article
The Journal of Chemical Physics, vol. 156, iss. 9, pp. 094106, 2022
Authors
Nicholas P. Bauman, Karol Kowalski
Publication
Impacts of temperature on sulfur solubility in low‐activity waste glasses
Journal Article
International Journal of Applied Glass Science, vol. 13, iss. 2, pp. 244-253, 2022
Authors
Tongan Jin, Chloe H. Skidmore, Albert A. Kruger, John D. Vienna
Publication
Quantitative Account of the Bonding Properties of a Rubredoxin Model Complex [Fe(SCH
3
)
4
]
q
, q = −2, −1, +2, +3
Journal Article
Journal of Chemical Theory and Computation, vol. 17, iss. 10, pp. 6080-6091, 2021
Authors
Demeter Tzeli, Simone Raugei, Sotiris S. Xantheas
Publication
COVID19 Disease Map, a computational knowledge repository of virus–host interaction mechanisms
Journal Article
Molecular Systems Biology, vol. 17, iss. 10, 2021
Authors
Marek Ostaszewski, Anna Niarakis, Alexander Mazein, Inna Kuperstein, Robert Phair, Aurelio Orta‐Resendiz, Vidisha Singh, Sara Sadat Aghamiri, et al.
Publication
Impact of a New Cloud Microphysics Parameterization on the Simulations of Mesoscale Convective Systems in E3SM
Journal Article
Journal of Advances in Modeling Earth Systems, vol. 13, iss. 11, 2021
Authors
Jingyu Wang, Jiwen Fan, Zhe Feng, Kai Zhang, Erika Roesler, Benjamin Hillman, Jacob Shpund, Wuyin Lin, et al.
Publication
First-Principles Study of Tritium Trapping in γ-LiAlO
2
Nanovoids
Journal Article
The Journal of Physical Chemistry C, vol. 126, iss. 12, pp. 5767-5776, 2022
Authors
Michel Sassi, Steven R. Spurgeon, Bethany E. Matthews, Arun Devaraj, David J. Senor
Publication
Ab initio thermodynamics reveals the nanocomposite structure of ferrihydrite
Journal Article
Communications Chemistry, vol. 4, iss. 1, 2021
Authors
Michel Sassi, Anne M. Chaka, Kevin M. Rosso
Publication
Selective catalytic reduction of NOx with NH3 over Ce-Mn oxide and Cu-SSZ-13 composite catalysts – Low temperature enhancement
Journal Article
Applied Catalysis B: Environmental, pp. 121522, 2022
Authors
Tahrizi Andana, Kenneth G. Rappé, Nicholas C. Nelson, Feng Gao, Yong Wang
Publication
An Assessment of the Influence of Uncertainty in Temporally Evolving Streamflow Forecasts on Riverine Inundation Modeling
Journal Article
Water, vol. 12, iss. 3, pp. 911, 2020
Authors
Youcan Feng, David R. Judi, Cynthia L. Rakowski
Publication
Post-remediation geophysical assessment: Investigating long-term electrical geophysical signatures resulting from bioremediation at a chlorinated solvent contaminated site
Journal Article
Journal of Environmental Management, vol. 302, pp. 113944, 2022
Authors
Pauline Kessouri, Tim Johnson, Frederick D. Day-Lewis, Chen Wang, Dimitrios Ntarlagiannis, Lee D. Slater
Publication
Utility-Scale Shared Energy Storage: Business models for utility-scale shared energy storage systems and customer participation
Journal Article
IEEE Electrification Magazine, vol. 9, iss. 4, pp. 47-54, 2021
Authors
Mohammed Ben-Idris, Michael Brown, Matthew Egan, Zhenyu Huang, Joydeep Mitra
Publication
Dynamics of organic matter molecular composition under aerobic decomposition and their response to the nitrogen addition in grassland soils
Journal Article
Science of The Total Environment, vol. 806, pp. 150514, 2022
Authors
Qian Zhao, Allison M. Thompson, Stephen J. Callister, Malak M. Tfaily, Sheryl L. Bell, Sarah E. Hobbie, Kirsten S. Hofmockel
Publication
Uncertainty quantification for Bayesian active learning in rupture life prediction of ferritic steels
Journal Article
Scientific Reports, vol. 12, iss. 1, 2022
Authors
Osman Mamun, M. F. N. Taufique, Madison Wenzlick, Jeffrey Hawk, Ram Devanathan
Publication
Transportation operations model analysis for removal of stranded fuel from shutdown reactors
Journal Article
Packaging, Transport, Storage & Security of Radioactive Material, vol. 25, iss. 3-4, pp. 139-143, 2015
Authors
E. A. Kalinina, P. E. McConnell, I. K. Busch, S. J. Maheras, R. E. Best
Publication
Electron and Hole Mobilities in Bulk Hematite from Spin-Constrained Density Functional Theory
Journal Article
Journal of the American Chemical Society, vol. 144, iss. 10, pp. 4623-4632, 2022
Authors
Christian S. Ahart, Kevin M. Rosso, Jochen Blumberger
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