Zobrazeno 1 - 10
of 42
pro vyhledávání: '"Duo Hui Huang"'
Publikováno v:
AIP Advances, Vol 14, Iss 10, Pp 105207-105207-7 (2024)
The potential energy curves and transition dipole moments of seven Λ-S states and six Ω states of LuH+ cation are calculated by using the multireference configuration interaction method plus Davidson correction with the pseudopotential electron bas
Externí odkaz:
https://doaj.org/article/68f0d4bc5d884118b2d06b7f8bb6d39a
Publikováno v:
RSC advances. 12(52)
In this paper, the potential energy curves of 22 Λ-S states as well as 51 Ω states were calculated using the internally contracted multiconfiguration interaction and Davidson correction method. Through the obtained transition data, the spectroscopy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::589d585227b803b1695aeec84b3fac16
https://pubmed.ncbi.nlm.nih.gov/36505708
https://pubmed.ncbi.nlm.nih.gov/36505708
Akademický článek
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Publikováno v:
Physical chemistry chemical physics : PCCP. 22(4)
Molecular dynamics simulations of Ni36Zr64, Cu65Zr35 and Ni80Al20 were carried out over a broad range of temperature (900-3000 K) to investigate the Stokes-Einstein (SE) relation for glass-forming melts. Our results reproduce experimental structural
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7939182db8a0cd31cb52bbe658a07fc8
https://pubmed.ncbi.nlm.nih.gov/31942907
https://pubmed.ncbi.nlm.nih.gov/31942907
Publikováno v:
Phys. Chem. Chem. Phys.. 19:27360-27367
The schemes for laser cooling of the OH- anion are proposed using an ab initio method. Scalar relativistic corrections are considered using the Douglas-Kroll Hamilton. Spin-orbit coupling (SOC) effects are taken into account at the MRCI+Q level. SOC
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d9bb7e5ebebcccfd2f63dc994e08f808
https://doi.org/10.1039/c7cp04393g
https://doi.org/10.1039/c7cp04393g
Publikováno v:
Diamond and Related Materials. 114:108315
A two-dimensional rectangular carbon formed by four-, eight- and ten-membered carbon rings, named R10-graphene, is found by the particle swarm optimization method. Studies indicate that R10-graphene is metallic, possessing dynamical, thermal and mech
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9304029beacd14ea13add54ee1b25f5a
https://doi.org/10.1016/j.diamond.2021.108315
https://doi.org/10.1016/j.diamond.2021.108315
Publikováno v:
Chinese Physics Letters. 37:076201
Transport and structural properties of metallic glass-forming liquid Cu50Zr50 are investigated by molecular dynamics simulation, under high pressures from 1 bar to 70 GPa. The following results have been obtained: (i) reversals of component diffusion
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f45ca0db7f377a01a84986904f8064d4
https://doi.org/10.1088/0256-307x/37/7/076201
https://doi.org/10.1088/0256-307x/37/7/076201
Publikováno v:
Chinese Physics B. 29:023104
To tailor properties of polymer composites are very important for their applications. Very small concentrations of nanoparticles can significantly alter their physical characteristics. In this work, molecular dynamics simulations are performed to stu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c6f51ec5627fc742485be182ff39dae9
https://doi.org/10.1088/1674-1056/ab6312
https://doi.org/10.1088/1674-1056/ab6312
Publikováno v:
Journal of Chemical Physics; 3/21/2014, Vol. 140 Issue 11, p114505-1-114505-8, 8p, 1 Chart, 8 Graphs
Publikováno v:
Physical chemistry chemical physics : PCCP. 19(40)
The schemes for laser cooling of the OH
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::66ee344c9dbee2184f8832a9a7d5e596
https://pubmed.ncbi.nlm.nih.gov/28971186
https://pubmed.ncbi.nlm.nih.gov/28971186