Zobrazeno 1 - 10
of 368
pro vyhledávání: '"N. Pansini"'
Publikováno v:
In International Journal of Hydrogen Energy 2 January 2024 50 Part D:1129-1137
Autor:
N. Pansini, V. Grattagliano, M. Covelli, L. Raho, F. Iannone, M. Tampoia, A. Chialà, M. Marrone, G. Lapadula
Publikováno v:
Reumatismo, Vol 59, Iss 1, Pp 20-24 (2011)
Joint involvement in systemic sclerosis (SSc) commonly occurs as arthralgias, while a true arthritis is less frequent. The most common arthritis developing in SSc is rheumatoid arthritis (RA) and its diagnosis may be misled by concomitant joint contr
Externí odkaz:
https://doaj.org/article/4298192d8fcc4973ad5e79579eed4103
Publikováno v:
International Journal of Quantum Chemistry. 121
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e3e52c6e95fe460bae5d192dbfd77024
https://doi.org/10.1002/qua.26642
https://doi.org/10.1002/qua.26642
Publikováno v:
International Journal of Quantum Chemistry. 120
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::189cf98198a3d54218931fc4af3a0c18
https://doi.org/10.1002/qua.26135
https://doi.org/10.1002/qua.26135
Publikováno v:
The Journal of chemical physics. 150(15)
We seek correlation consistent double- and triple-zeta basis sets that perform optimally for extrapolating the correlation energy to the one-electron complete basis set limit. Since the methods used are approximate, the novel basis sets become method
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::74ce3425a16ff206bf96edc9eabd9a88
https://pubmed.ncbi.nlm.nih.gov/31005101
https://pubmed.ncbi.nlm.nih.gov/31005101
Theoretical study of the electronic structure and electrical properties of Al-doped niobium clusters
Publikováno v:
Chemical Physics. 535:110778
A methodology previously suggested for niobium clusters is here applied to the prediction of the ground spin-state of the niobium clusters doped with aluminum atoms. By using all-electron density functional theory with Douglas-Kroll-Hess correction,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3cd1b6e65d3d7f2083a4491d23cd31ad
https://doi.org/10.1016/j.chemphys.2020.110778
https://doi.org/10.1016/j.chemphys.2020.110778
Publikováno v:
Journal of computational chemistry. 39(20)
A detailed analysis of the electronic structure of the ground and first excited spin state of three diatomic molecules ( N2, BH and CO) under static applied electric field is performed at CCSD(T), DFT, MRCI and MRCI(Q) levels of theory. Our findings
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::33b52576cf5a6bb2f005b518a8300e00
https://pubmed.ncbi.nlm.nih.gov/29676469
https://pubmed.ncbi.nlm.nih.gov/29676469
Publikováno v:
Chemical Physics Letters. 641:90-96
The performance of various hierarchized basis sets has been assessed by extrapolating the correlation energy to the estimated one-electron complete basis set limit. New hierarchical numbers are obtained which are found to lie close to previously repo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7a200081ef0f65a82889aeb45e275f5b
https://doi.org/10.1016/j.cplett.2015.10.064
https://doi.org/10.1016/j.cplett.2015.10.064
Publikováno v:
Chemical Physics Letters. :70-77
A simple scheme is suggested to extrapolate the valence electron correlation to the one-electron complete-basis-set limit in species formed by atoms of hydrogen through neon. The performance of the novel scheme is benchmarked for the correlation ener
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::996e7b9cfb18070f162f36022089069c
https://doi.org/10.1016/j.cplett.2015.04.052
https://doi.org/10.1016/j.cplett.2015.04.052
Publikováno v:
The Journal of Physical Chemistry A. 119:1208-1217
Supporting InformationABSTRACT: A method previously suggested to calculate the correlation energyat the complete one-electron basis set limit by reassigning the basis hierarchicalnumbers and using the unified singlet- and triplet-pair extrapolation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::42639447f5c0e5ee24cd9f7ac83459ef
https://doi.org/10.1021/jp512397n
https://doi.org/10.1021/jp512397n