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Are trinuclear superhalogens promising candidates for novel magnetic materials? A theoretical prospe
[会议论文] 作者:Bing Yin,
来源:第七届全国物理无机化学会议 年份:2016
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Are trinuclear superhalogens promising candidates for novel magnetic materials? A theoretical prospe
[会议论文] 作者:Bing Yin,
来源:第七届全国物理无机化学会议 年份:2016
The structures,relative stabilities,vertical electron detachment energies and magnetic properties of a series of trinuclear clusters are explored via combined broken-symmetry DFT and ab initio study.S...
Are superhalogens without halogen ligand capable of transcending traditional halogen-based superhalo
[会议论文] 作者:Jin-Feng Li,Bing Yin,
来源:第十三届全国计算机化学学会会议 年份:2015
The superhalogen properties of polynuclear structures without halogen ligand are theoretically explored here for several [M2(CN)5]-1(M= Ca,Be)clusters.At CC...
[会议论文] 作者:Bing Yin,Zhen-Yi Wen,
来源:第六届全国物理无机化学会议 年份:2012
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The combination of superhalogens and Br(o)nsted acid:A Novel and effective strategy for designing su
[会议论文] 作者:Fu-Qiang Zhou,Bing Yin,
来源:第十三届全国量子化学会议 年份:2017
We designed a series of 27 complexes consisting of superhalogens(MgnCl2n+1)and Br(o)nsted acid(HX,X=F,Cl,Br),which were systemically investigated via high-l...
[会议论文] 作者:Jin-Feng Li,Bing Yin,
来源:第十三届全国量子化学会议 年份:2017
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Probing the potential of halogen-free superhalogen anions as effective electrolytes of Li-ion batter
[会议论文] 作者:Yin-Yin Sun,Bing Yin,
来源:第十三届全国量子化学会议 年份:2017
The potential of 23 superhalogen anions of halogen-free structures as high-performance electrolyte of Li-ion batteries is theoretically explored here.According to high-level ab initio results at the C...
The combination of superhalogens and Br(o)nsted acid:A Novel and effective strategy for designing su
[会议论文] 作者:Fu-Qiang Zhou,Bing Yin,
来源:第十三届全国量子化学会议 年份:2017
We designed a series of 27 complexes consisting of superhalogens(MgnCl2n+1)and Br(o)nsted acid(HX,X=F,Cl,Br),which were systemically investigated via high-level ab initio and DFT calculations....
[会议论文] 作者:Jin-Feng Li,Bing Yin,
来源:第十三届全国量子化学会议 年份:2017
Based on combined DFT and CCSD(T) calculations,the possibility of stabilizing noble gas hydrides HNgY 1,2(Ng=Ar,Kr,Xe;Y=superhalogen) via superhalogen moieties is explored for a series of 24 complexes...
Could the description on polynuclear superhalogens by DFT be comparable with high-level CCSD(T)resul
[会议论文] 作者:Yin-Yin Sun,Bing Yin,
来源:第十三届全国计算机化学学会会议 年份:2015
A benchmark DFT study of 17 XC functionals were performed on different types of superhalogens1,2 with high-level CCSD(T)results as the reference.3 The superhalogens selected here cover the ranges from...
The combination of superhalogens and Brφnsted acids HX(X=F,Cl,Br):An effective strategy for designin
[会议论文] 作者:Fu-Qiang Zhou,Bing Yin,
来源:中国化学会第14 届全国计算(机)化学学术会议暨分子模拟国际论坛 年份:2017
A series of 27 composite structures,consisting of superhalogen and Brφnsted acid,is designed and systematically studied based on combined ab initio and DFT calculations focusing on their potentials as...
Macroscopic and microscopic fracture features of concrete used in coal mine under chlorine salt eros
[期刊论文] 作者:Li Bing,Yin Huiguang,Mao Xianb,
来源:矿业科学技术学报:英文版 年份:2016
The microscopic morphology and pore structure characteristics of concrete with composite admixtures(fly ash and mineral powder) after chlorine salt erosion were...
[会议论文] 作者:Bing Yin,Zhen-Yi Wen,Yuan-He Huang,
来源:2012年理论与高性能计算化学国际会议(ICT-HPCC12) 年份:2012
Superhalogen species are kinds of molecular clusters consisting of highly electronegative ligands and central atoms 1a.The most important characteristics of sup...
[会议论文] 作者:Bing Yin,Zhenyi Wen,Zhenyi Jiang,
来源:第六届国际理论化学、分子模拟和生命科学研讨会暨科学计算和模拟软件发展平台学术交流会 年份:2011
The structures, relative stabilities, vertical detachment energies and exchange coupling constants of a series of Mn-based dinuclear superhalogens and their...
Are trinuclear superhalogens promising candidates for novel magnetic materials? A theoretical prospe
[会议论文] 作者:Bing Yin,Zhenyi Wen,Yuan-He Huang,
来源:第十二届全国量子化学会议 年份:2014
The structures,relative stabilities,vertical electron detachment energies and magnetic properties of a series of trinuclear clusters are explored via combined broken-symmetry DFT and ab initio study.S...
[会议论文] 作者:Yue Chang,Bing Yin,Lizhong Hu,
来源:第二届纳米能源与纳米系统国际会议(NENS2016) 年份:2016
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Combinatorial research of contact antibacterial activity and hydrophobicity applied to the developme
[会议论文] 作者:Bing Yin,Jiongjie Liu,Zhuhui Qiao,
来源:第十一届全国表面工程大会暨第八届全国青年表面工程学术会议 年份:2016
Contact antimicrobial coatings have been a subject of increasing interest in part because of the contribution of biocide release coatings to antibiotic resistance. The surface hydrophobicity can enhan...
[会议论文] 作者:Kang Tiejun,Zhao Jinlong,Wu Bing,Yin Shanyan,
来源:2009国际理论心理学应用研讨会(ISTP2009) 年份:2009
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[会议论文] 作者:Bing Yin[1],Zhenyi Wen[1],Zhenyi Jiang[2],
来源:第六届国际理论化学、分子模拟和生命科学研讨会暨科学计算和模拟软件发展平台学术交流会 年份:2011
The structures, relative stabilities, vertical detachment energies and exchange coupling constants of a series of Mn-based dinuclear superhalogens and their...
[会议论文] 作者:Bing Yin,ZhenYi Wen,GangLin Xue,JianLi Li,ZhenYi Jiang,
来源:第十一届全国量子化学会议 年份:2011
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