Zobrazeno 1 - 10
of 32
pro vyhledávání: '"Rui-Sheng Zhao"'
Autor:
Yu Song, Qiao-Chen Geng, Wen-Jing An, Fu-Cheng Zhang, Ran Jiang, Rui-Sheng Zhao, Zhi-Jian Deng, Heng Li
Publikováno v:
Molecular & Cellular Oncology, Vol 11, Iss 1 (2024)
ABSTRACTBreast cancer was considered as a kind of prone breast tumors with the complicated pathological mechanisms and diverse clinical classifications. In the clinical treatments of HER2-positive tumor patients, HER2 monoclonal antibodies, such as H
Externí odkaz:
https://doaj.org/article/26eb539acf5e45d59c9da63d01489be6
Publikováno v:
ChemistrySelect. 8
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7ae5450e61019f83886f8baf2d93281b
https://doi.org/10.1002/slct.202204920
https://doi.org/10.1002/slct.202204920
Publikováno v:
Inorganic Chemistry. 59:8099-8107
Nonclassical fullerene is a new member of the fullerene family. In the present work, a systematic investigation on LaxSc3–xN@C80 (x = 0–3) covering both classical and nonclassical C80 cages was per...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5c451797e55f8993a05b90dce2534e91
https://doi.org/10.1021/acs.inorgchem.0c00394
https://doi.org/10.1021/acs.inorgchem.0c00394
Publikováno v:
ChemistrySelect. 5:3995-4000
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::203b79dc231e2a42981f59c26fb43512
https://doi.org/10.1002/slct.201904571
https://doi.org/10.1002/slct.201904571
Autor:
Kun Yuan, Shirin Rahmani, Shigeru Nagase, Rui-Sheng Zhao, Mengyang Li, Masahiro Ehara, Yaoxiao Zhao, Yi‐Ming Xiong, Xiang Zhao
Publikováno v:
Journal of Computational Chemistry. 40:2730-2738
The thermodynamic and dynamic stabilities of Sc3 X@C80 (X = C, N, and O) are explored via density functional theory combined with statistical thermodynamic analysis and ab initio molecular dynamics. It is the first time to comprehensively consider th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1fb35e64db7da0186eb2c2ab43e1421f
https://doi.org/10.1002/jcc.26049
https://doi.org/10.1002/jcc.26049
Publikováno v:
Carbon. 132:312-322
Very recently, the endohedral clusterfullerenes VxSc3-xN@C80 (x = 1 and 2) have been successfully prepared. Herein, the novel entire family of VxSc3-xN@C80 (x = 0, 1, 2 and 3) were systematically investigated via density functional theory combined wi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c04a9b43f8ec7b29525df1cad6f6064a
https://doi.org/10.1016/j.carbon.2018.02.054
https://doi.org/10.1016/j.carbon.2018.02.054
Publikováno v:
Chemical Physics Letters. 698:77-84
The geometric, electronic structure and thermodynamic stability of Sc2O@C92 has been characterized by using hybrid density functional theory calculations combined with statistical thermodynamic analyses. Results indicate that the isolated pentagon ru
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::02176e9e2031a556fab06cb08e3a60e3
https://doi.org/10.1016/j.cplett.2018.03.003
https://doi.org/10.1016/j.cplett.2018.03.003
Publikováno v:
Inorganic Chemistry. 56:11883-11890
A family of dilanthanum-containing endohedral metallofullerene La2C2n (n = 46–51) was synthesized recently. In the present work, a systematical investigation on La2C96 series including the carbide clusterfullerene form La2C2@C94 and the conventiona
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5f020971ac9126bae06015ad114e0d24
https://doi.org/10.1021/acs.inorgchem.7b01833
https://doi.org/10.1021/acs.inorgchem.7b01833
Autor:
Xiang Zhao, Josep M. Poblet, Rui-Sheng Zhao, Shigeru Nagase, Sheng-Dun Zhao, Kun Yuan, Masahiro Ehara
Publikováno v:
The Journal of Physical Chemistry C. 121:20481-20488
Structure elucidation is a vital step to study endohedral metallofullerene (EMF), and theoretical investigation is a useful complementary way to elucidate structures of EMFs. However, our recent work exposed that density functional theory (DFT) metho
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ee40cd25c0d6bfc3787a650726cec3e7
https://doi.org/10.1021/acs.jpcc.7b06111
https://doi.org/10.1021/acs.jpcc.7b06111
Autor:
Yao-Xiao, Zhao, Meng-Yang, Li, Yi-Ming, Xiong, Shirin, Rahmani, Kun, Yuan, Rui-Sheng, Zhao, Masahiro, Ehara, Shigeru, Nagase, Xiang, Zhao
Publikováno v:
Journal of computational chemistry. 40(31)
The thermodynamic and dynamic stabilities of Sc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::0acad3f64463aa686c559b693a499f69
https://pubmed.ncbi.nlm.nih.gov/31433074
https://pubmed.ncbi.nlm.nih.gov/31433074