Výsledky vyhledávání - "Daniel S. Mast"

An Atomistic Understanding of the Unusual Thermal Behavior of the Molecular Oxide Tc2O7

Autor: Bradley C. Childs, Keith V. Lawler, Alfred P. Sattelberger, Daniel S. Mast, Paul M. Forster, Kenneth R. Czerwinski, Frederic Poineau

Publikováno v: Inorganic Chemistry. 58:5468-5475

The thermal behavior of Tc2O7 has been investigated by single-crystal X-ray diffraction of the solid state over a range of 80–280 K and by ab initio molecular dynamics (MD) simulations. The thermal expansion coefficient of the solid was experimenta

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::3bc8e8e97d38f571bab289d3d088e9a0
https://doi.org/10.1021/acs.inorgchem.8b02368

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The Nature of the Technetium Species Formed During the Oxidation of Technetium Dioxide with Oxygen and Water

Autor: Laurent Bigler, Urs Stalder, Derek R. Peterson, Henrik Braband, Keith V. Lawler, Roger Alberto, Frederic Poineau, Kenneth R. Czerwinski, Paul M. Forster, Alfred P. Sattelberger, Alek Jansen, Bradley C. Childs, Daniel S. Mast

Publikováno v: European Journal of Inorganic Chemistry. 2018:1137-1144

The oxidation of TcO2 with O2 in the presence of H2O at 250 °C was investigated; Tc2O7 and a red product were observed after the reaction. UV/Visible spectroscopy and a cerium titration on the “red” product are consistent with the presence of a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::668b787a15b5ecd67a39b2aabf73c49a
https://doi.org/10.1002/ejic.201701199

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Molecular and Electronic Structures of M2O7 (M = Mn, Tc, Re)

Autor: Alfred P. Sattelberger, Bradley C. Childs, Frederic Poineau, Paul M. Forster, Keith V. Lawler, Kenneth R. Czerwinski, Daniel S. Mast

Publikováno v: Inorganic Chemistry. 56:2448-2458

The molecular and electronic structures of the group 7 heptoxides were investigated by computational methods as both isolated molecules and in the solid-state. The metal–oxygen–metal bending angle of the single molecule increased with increasing

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b5da8a3c07d8c2fd3efa0bf035c90c45
https://doi.org/10.1021/acs.inorgchem.6b02503

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Equation of state for technetium from X‐ray diffraction and first-principle calculations

Autor: Barbara Lavina, Eunja Kim, Paul M. Forster, Frederic Poineau, Emily Siska, Kenneth R. Czerwinski, Daniel S. Mast

Publikováno v: Journal of Physics and Chemistry of Solids. 95:6-11

The ambient temperature equation of state (EoS) of technetium metal has been measured by X-ray diffraction. The metal was compressed using a diamond anvil cell and using a 4:1 methanol-ethanol pressure transmitting medium. The maximum pressure achiev

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0d19e20512c74e9b2582d7584d883d87
https://doi.org/10.1016/j.jpcs.2016.03.007

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Tricritical point from high-field magnetoelastic and metamagnetic effects in UN

Autor: Nicholas M. Harrison, D. J. Safarik, Daniel Antonio, Krzysztof Gofryk, Tomasz Durakiewicz, Marcelo Jaime, Keshav Shrestha, Daniel S. Mast, Jean-Christophe Griveau

Publikováno v: Scientific Reports
Scientific Reports, Vol 7, Iss 1, Pp 1-8 (2017)

Uranium nitride (UN) is one of the most studied actinide materials as it is a promising fuel for the next generation of nuclear reactors. Despite large experimental and theoretical efforts, some of the fundamental questions such as degree of 5 f–el

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3a159c5a0dc72554bb696d80ccf0adf1
http://europepmc.org/articles/PMC5529359

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Molecular and Electronic Structures of M

Autor: Keith V, Lawler, Bradley C, Childs, Daniel S, Mast, Kenneth R, Czerwinski, Alfred P, Sattelberger, Frederic, Poineau, Paul M, Forster

Publikováno v: Inorganic chemistry. 56(5)

The molecular and electronic structures of the group 7 heptoxides were investigated by computational methods as both isolated molecules and in the solid-state. The metal-oxygen-metal bending angle of the single molecule increased with increasing atom

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::4edc04a019e3bc6da12432b717dfc8cc
https://pubmed.ncbi.nlm.nih.gov/28221038

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