Zobrazeno 1 - 10 of 51 pro vyhledávání: '"A L, Melin"'
1
Multireference Wavefunction-Based Investigation of the Ground and Excited States of LrF and LrO
Autor: Sasha C. North, Nuno M. S. Almeida, Timothé R. L. Melin, Angela K. Wilson
Publikováno v: The journal of physical chemistry. A.
Complete active space self-consistent field (CASSCF) and multireference configuration interaction with Davidson correction (MRCI+Q) calculations have been carried out for lawrencium fluoride (LrF) and lawrencium oxide (LrO) molecules, detailing 19 an
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::309aeed09910e6e1770a28c1fca3dc13
https://pubmed.ncbi.nlm.nih.gov/36596472
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2
Thermochemistry of per- and polyfluoroalkyl substances
Autor: Timothé R. L. Melin, Preston Harell, Betoul Ali, Narasimhan Loganathan, Angela K. Wilson
Publikováno v: Journal of computational chemistryREFERENCES.
The determination of gas phase thermochemical properties of per- and polyfluoroalkyl substances (PFAS) is central to understanding the long-range transport behavior of PFAS in the atmosphere. Prior gas-phase studies have reported the properties of pe
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0d42a07bc22e79e199e315bcd3120f73
https://pubmed.ncbi.nlm.nih.gov/36334029
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3
Preventing soft skill decay among early-career women in STEM during COVID-19: Evidence from a longitudinal intervention
Autor: Shelley Correll, Julia L. Melin
Publikováno v: Proceedings of the National Academy of Sciences of the United States of America. 119(32)
As the workforce shifts to being predominantly hybrid and remote, how can companies help employees—particularly early-career women in science, technology, engineering, and mathematics (STEM) fields—develop greater confidence in their soft skills,
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ba77998a9a26a1b2153134b1281fd02c
https://pubmed.ncbi.nlm.nih.gov/35914160
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4
Ab initio composite strategies and multireference approaches for lanthanide sulfides and selenides
Autor: Nuno M. S. Almeida, Timothé R. L. Melin, Sasha C. North, Bradley K. Welch, Angela K. Wilson
Publikováno v: The Journal of chemical physics. 157(2)
The f-block ab initio correlation consistent composite approach was used to predict the dissociation energies of lanthanide sulfides and selenides. Geometry optimizations were carried out using density functional theory and coupled cluster singles, d
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4d73177ec3c3eb4f80d709e68a49ca5b
https://pubmed.ncbi.nlm.nih.gov/35840393
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5
Multireference calculations on the ground and lowest excited states and dissociation energy of LuF
Autor: Angela K. Wilson, Timothé R. L. Melin, Nuno Almeida
Publikováno v: The Journal of chemical physics. 154(24)
High level multireference calculations were performed for LuF for a total of 132 states, including four dissociation channels Lu(2D) + F(2P), Lu(2P) + F(2P), and two Lu(4F) + F(2P). The 6s, 5d, and 6p orbitals of lutetium, along with the valence 2p a
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::af1f839d55cd0b7de7f6232377221274
https://pubmed.ncbi.nlm.nih.gov/34241349
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7
Diagnostics, epidemiological observations and genomic subtyping in an outbreak of pullorum disease in non-commercial chickens
Autor: Linda Ernholm, Helena Eriksson, Désirée S. Jansson, Robert Söderlund, L. Melin
Publikováno v: Veterinary Microbiology. 217:47-52
Salmonella Gallinarum biovar Pullorum (S. Pullorum) is a poultry pathogen associated with significant economic losses and animal suffering. Strict eradication programmes have eliminated S. Pullorum from the commercial poultry sector in most regions,
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e95a2bf2c26146f0dc415bcff6543de2
https://doi.org/10.1016/j.vetmic.2018.02.025
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8
Comparison of whole genome sequencing typing results and epidemiological contact information from outbreaks of Salmonella Dublin in Swedish cattle herds
Autor: Robert Söderlund, Helene Wahlström, Elina Lahti, Estelle C.C. Ågren, L. Melin, Catrin Vesterlund-Carlson
Publikováno v: Infection Ecology & Epidemiology
Infection Ecology & Epidemiology, Vol 6, Iss 0, Pp 1-7 (2016)
Infection Ecology & Epidemiology; Vol 6 (2016)
Background : Whole genome sequencing (WGS) is becoming a routine tool for infectious disease outbreak investigations. The Swedish situation provides an excellent opportunity to test the usefulness of WGS for investigation of outbreaks with Salmonella
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1b6d33c9d38902681dbf09bafec1e0d9
http://europepmc.org/articles/PMC4938893
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10
Lewis and Clark and theCorps of Discovery: Re‐enactment Event Tourism as Authentic Heritage Travel
Autor: Derick F. Davis, Nina M. Ray, Tracy L. Melin, Gary McCain
Publikováno v: Leisure Studies. 25:437-454
Heritage tourism has evolved to include study of sub‐segments who travel to attend and participate in historical event re‐enactments. In the US, the bicentennial of the Lewis and Clark expedition to the Pacific coast and back again is being comme
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b1c67db2f908cb92e1704f7db3a1a417
https://doi.org/10.1080/02614360600958195
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