Zobrazeno 1 - 10
of 11
pro vyhledávání: '"Mei-Zhen Ao"'
Publikováno v:
Nanoscale. 15:2377-2383
Extensive first-principles theory calculations predict the possibility of a series of novel heptacoordinate Ni-decorated cage-like metallo-borospherenes and one-dimensional multiple-helix metallo-boronanotubes composed of interconnected boron double
Publikováno v:
Nanoscale Advances; 12/7/2023, Vol. 5 Issue 23, p6688-6694, 7p
Publikováno v:
Physical Chemistry Chemical Physics. 24:3918-3923
Extensive first-principles theory calculations predict the perfect endohedral metallo-borospherene D3h La@[La5&B30] (1) and its monoanion Cs La@[La5&B30]− (2) and dianion D3h La@[La5&B30]2− (3) which appear to be spherically aromatic in nature.
Autor:
Si-Dian Li, Mei-Zhen Ao, Xinxin Tian, Yuan-Yuan Ma, Lai-Sheng Wang, Daofu Yuan, Qiang Chen, Teng-Teng Chen, Yue-Wen Mu, Wei-Jia Chen
Publikováno v:
Nanoscale. 13:3868-3876
Size-selected negatively-charged boron clusters (Bn−) have been found to be planar or quasi-planar in a wide size range. Even though cage structures emerged as the global minimum at B39−, the global minimum of B40− was in fact planar. Only in t
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(6)
It is well-known that transition-metal-doping induces dramatic changes in the structures and bonding of small boron clusters, as demonstrated by the newly observed perfect inverse sandwich
Publikováno v:
RSC Advances. 10:12469-12474
La-doped boron nanoclusters have received considerable attention due to their unique structures and bonding. Inspired by recent experimental observations of the inverse sandwich D8h La2B8 (1) and triple-decker C2v La3B14− (2) and based on extensive
Publikováno v:
RSC advances. 10(21)
La-doped boron nanoclusters have received considerable attention due to their unique structures and bonding. Inspired by recent experimental observations of the inverse sandwich
Publikováno v:
Computational and Theoretical Chemistry. 1064:25-34
A theoretical study of the interactions between 2,4,6-trinitrotoluene (TNT) and ammonia (NH 3 ) has been carried out by means of MP2, DFT, and CCSD(T) methods. Eight stable structures of TNT⋯NH 3 complexes were identified at the MP2/6-311++G(d,p) l
Publikováno v:
Computational and Theoretical Chemistry. 1046:107-117
Triisopropylsilylethynyl(TIPS)-functionalized polyacenes, a new family of novel organic semiconductors, have attracted extensive interests due to their high solubility, good air stability, and high performance in organic field effect transistors (OFE
Publikováno v:
The Analyst. 138(21)
The first triazole-containing fluorescent probe with excellent water-solubility for Pd(2+) was presented. The results indicated that an amide-triazole-amide binding sequence was responsible for the unique affinity of PS-1 toward Pd(2+). Among the tes