Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Xian Xing Chi"'
Publikováno v:
Journal of Atomic and Molecular Sciences. 5:51-57
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e39dce57edf503aa79ad86db861a65d2
https://doi.org/10.4208/jams.031213.052613a
https://doi.org/10.4208/jams.031213.052613a
Autor:
Xian Xing Chi, Xing Zhan Lin
Publikováno v:
Journal of Molecular Modeling. 17:879-888
The stable structures and aromatic characters for three cationic X 3 + (X = Sc, Y, and La) and three relevant neutral X3Cl (X = Sc, Y, La) clusters are investigated at the DFT and post HF level of theory. The calculated results show that the X 3 + ca
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d17f66a9ae9b26dacdb761dd42daeea9
https://doi.org/10.1007/s00894-010-0782-9
https://doi.org/10.1007/s00894-010-0782-9
Autor:
Xian-xing Chi, Xing-bao Wang
Publikováno v:
Chinese Journal of Chemical Physics. 22:75-81
Through the theoretical calculation of structural optimization, vibrational frequencies and atomization energies with one method of density functional theory (B3LYP) and two post-Hartree-Fock approaches (MP2, CCSD(T)), several stable isomers for new
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6afa93913ff6a7362c01832cce31535f
https://doi.org/10.1088/1674-0068/22/01/75-81
https://doi.org/10.1088/1674-0068/22/01/75-81
Publikováno v:
International Journal of Quantum Chemistry. 107:722-728
Five cation clusters X (X=H, Li, Na, K, and Cu) with two possible isomers, i.e., regular trigonal structure (D3h) and linear structure (D∞h), have been investigated using four methods: B3LYP, B3PW91, MP2, CCSD(T) and basis set 6-311+G(3df). The cal
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fbe8346c47bb6ac3a3cec66f9e89ba84
https://doi.org/10.1002/qua.21166
https://doi.org/10.1002/qua.21166
Publikováno v:
Chemical Physics. 276:263-276
Hydrogen-bonded isomers of PH3–HF in the gas phase have been studied by the Hartree–Fock ab initio, the various density-functional methods such as the hybrid-functionals B3PW91, B3LYP and its modified version M-B3LYP, and the generalized gradient
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7f7bb96634d42969ae073738c7e96160
https://doi.org/10.1016/s0301-0104(01)00550-x
https://doi.org/10.1016/s0301-0104(01)00550-x
Autor:
Xin-Hua Li, Xian-Xing Chi
Publikováno v:
Acta Crystallographica Section E Structure Reports Online. 60:m1301-m1302
By reaction of cobalt(II) sulfate with 5-hydroxyisophthalic acid and 2,2′-bipyridine in a water–dimethylformamide solution, the title novel sulfate-anion-bridged inorganic–organic hybrid, [Co(C10H8N2)(H2O)2SO4]n, has been synthesized.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8a123c0e0a4cb43be62c35db6382adbe
https://doi.org/10.1107/s1600536804019038
https://doi.org/10.1107/s1600536804019038
Autor:
Xian Xing Chi, Xing Zhan Lin
Publikováno v:
Journal of Molecular Modeling; Apr2011, Vol. 17 Issue 4, p879-888, 10p, 1 Color Photograph, 1 Diagram, 5 Charts
Autor:
Xin-Hua Li1 xhli@wznc.zj.cn, Xian-Xing Chi2
Publikováno v:
Acta Crystallographica: Section E. Sep2004, Vol. 60 Issue 9, pm1301-m1302. 2p. 2 Diagrams, 1 Chart.
Publikováno v:
Chinese Physics Letters; September 2005, Vol. 22 Issue: 9 p2233-2236, 4p