Thông tin nhà nghiên cứu KH&CN

Học tập chuyên sâu: phát triển hệ thống phân loại ebin

Stability and bonding of the multiply coordinated bimetallic boron cycles: B8M22-, B7NM2 and B6C2M2 with M = Sc and Ti

4d and 5d bimetal doped tubular silicon clusters Si12M2 with M = Nb, Ta, Mo and W: a bimetallic configuration model

Theoretical Investigation of Metallic Heterofullerenes of Silicon and Germanium Mixed with Phosphorus and Arsenic Atoms M-A8E6, A = Si, Ge; E = P, As; and M = Cr, Mo, W

A DFT investigation on geometry and chemical bonding of isoelectronic Si8N6V-, Si8N6Cr, and Si8N6Mn+ clusters

Au19M (M=Cr, Mn, and Fe) as magnetic copies of the golden pyramid

Structural evolution and bonding of 2210-271X - thuộc ISI 3 5 phosphorus-doped silicon clusters SinPm-/0/+ with n=1-10, m=1, 2

Mn@B3N3Si8 (+): a stable singlet manganese-doped hetero-atom-mixed silicon fullerene

Aromaticity of Some Metal Clusters: A Different View from Magnetic Ring Current

B3@Si12: strong stabilizing effects of a triatomic cyclic boron unit on tubular silicon clusters

Ultimate Manipulation of Magnetic Moments in the Golden Tetrahedron Au-20 with a Substitutional 3d Impurity

Boron Teetotum: Metallic [Ti(B6CxNy)](q) and Bimetallic [Ti-2(B6CxNy)](q) Nine-Membered Heterocycles with x plus y=3 and-1 <= q <= 3

Formation of a bi-rhodium boron tube Rh2B18 and its great CO2 capture ability

Formation of the quasi-planar B-50 boron cluster: topological path from B-10 and disk aromaticity

Effects of single and double nickel doping on boron clusters: stabilization of tubular structures in BnNim, n=2-22, m=1, 2

Impressive capacity of the B-7(-) and V2B7 clusters for CO2 capture

Geometry and bonding of small binary boron-aluminum clusters BnAln (n = 1-7): Electron donation and interlocking aromaticity

Formation of the M2B18q Teetotum Boron Clusters with 4d and 5d Transition Metals M = Rh, Pd, Ir, and Pt

BxGe120/+ Clusters with x=1-4: Germanium Tubes Stabilized by Three and Four Boron Dopants

Transformation between Hexagonal Prism and Antiprism of the Singly and Doubly Cr-Doped Ge-12 Clusters

Structure and Stability of a Trefoil Leaf Motif of Metal-Doped Silicon and Germanium Clusters: M3@E20 with E = Si and Ge and M = Fe, Ru, and Os

A remarkable mixture of germanium with phosphorus and arsenic atoms making stable pentagonal hetero-prisms [M@Ge5E5]+, E = P, As and M = Fe, Ru, Os

An octacoordinated Nb atom in the NbAl8H8+ cluster

Unexpected structures of the Au17 gold cluster: the stars are shining

Photophysical Properties of Silver Clusters in Faujasite Zeolites: Does the Crystal Size Matter?

4d and 5d bimetal doped tubular silicon clusters Si12M2 with M = Nb, Ta, Mo and W: a bimetallic configuration model

A DFT investigation on geometry and chemical bonding of isoelectronic Si8N6V-, Si8N6Cr, and Si8N6Mn+ clusters

A remarkable mixture of germanium with phosphorus and arsenic atoms making stable pentagonal hetero-prisms [M@Ge5E5]+, E = P, As and M = Fe, Ru, Os

An octacoordinated Nb atom in the NbAl8H8+ cluster

Aromaticity of Some Metal Clusters: A Different View f-rom Magnetic Ring Current

Au19M (M=Cr, Mn, and Fe) as magnetic copies of the golden pyramid

B3@Si12: strong stabilizing effects of a triatomic cyclic boron unit on tubular silicon clusters

Boron Teetotum: Metallic [Ti(B6CxNy)](q) and Bimetallic [Ti-2(B6CxNy)](q) Nine-Membered Heterocycles with x plus y=3 and-1 <= q <= 3

BxGe120/+ Clusters with x=1-4: Germanium Tubes Stabilized by Three and Four Boron Dopants

Effects of single and double nickel doping on boron clusters: stabilization of tubular structures in BnNim, n=2-22, m=1, 2

Formation of a bi-rhodium boron tube Rh2B18 and its great CO2 capture ability

Formation of the M2B18q Teetotum Boron Clusters with 4d and 5d Transition Metals M = Rh, Pd, Ir, and Pt

Formation of the quasi-planar B-50 boron cluster: topological path f-rom B-10 and disk aromaticity

Geometry and bonding of small binary boron-aluminum clusters BnAln (n = 1-7): Electron donation and interlocking aromaticity

Impressive capacity of the B-7(-) and V2B7 clusters for CO2 capture

Mn@B3N3Si8 (+): a stable singlet manganese-doped hetero-atom-mixed silicon fullerene

Photophysical Properties of Silver Clusters in Faujasite Zeolites: Does the Crystal Size Matter?

Stability and bonding of the multiply coordinated bimetallic boron cycles: B8M22-, B7NM2 and B6C2M2 with M = Sc and Ti

Structural evolution and bonding of 2210-271X - thuộc ISI 3 5 phosphorus-doped silicon clusters SinPm-/0/+ with n=1-10, m=1, 2

Structure and Stability of a Trefoil Leaf Motif of Metal-Doped Silicon and Germanium Clusters: M3@E20 with E = Si and Ge and M = Fe, Ru, and Os

Theoretical Investigation of Metallic Heterofullerenes of Silicon and Germanium Mixed with Phosphorus and Arsenic Atoms M-A8E6, A = Si, Ge; E = P, As; and M = Cr, Mo, W

Transformation between Hexagonal Prism and Antiprism of the Singly and Doubly Cr-Doped Ge-12 Clusters

Ultimate Manipulation of Magnetic Moments in the Golden Tetrahedron Au-20 with a Substitutional 3d Impurity

Unexpected structures of the Au17 gold cluster: the stars are shining

Thiết kế các vật liệu nano từ các cluster trộn SinMm

Thiết kế các chất bán dẫn áp dụng cho pin mặt trời từ những cao phân tử hữu cơ

Ứng dụng mô hình cộng hưởng nanoribbon vào cluster bo pha tạp hai nguyên tử photpho