相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Theoretical insights of structural evolution and electronic properties of Ru2Gen (n=1-16) clusters
Xiaoqing Liang et al.
EUROPEAN PHYSICAL JOURNAL PLUS (2022)
Structural Evolution, Electronic Structures, and Vibrational Properties of Anionic LuGen (n=5-17) Clusters: From Lu-Linked to Lu-Encapsulated Configurations
Zhaofeng Yang et al.
INORGANIC CHEMISTRY (2021)
A joint experimental and theoretical study on structural, electronic, and magnetic properties of MnGen- (n=3-14) clusters
Yi-Wei Fan et al.
JOURNAL OF CHEMICAL PHYSICS (2021)
Insights of the role of shell closing model and NICS in the stability of NbGen (n=7-18) clusters: a first-principles investigation
Ravi Kumar Triedi et al.
JOURNAL OF MATERIALS SCIENCE (2019)
Atomic Structure and Electronic Properties of Anionic Germanium-Zirconium Clusters
N. A. Borshch et al.
INORGANIC MATERIALS (2018)
Evolution of electronic and vibrational properties of M@X-n (M = Ag, Au, X = Ge, Si, n=10, 12, 14) clusters: a density functional modeling
Ravi Trivedi et al.
JOURNAL OF MATERIALS SCIENCE (2018)
Growth Behavior and Electronic Structure of Noble Metal-Doped Germanium Clusters
Sofiane Mahtout et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2018)
Anionic Germanium-Niobium Clusters: Atomic Structure, Mechanisms of Cluster Formation, and Electronic Spectra
N. A. Borshch et al.
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A (2018)
Structural and magnetic properties of FeGen-/0 (n=3-12) clusters: Mass-selected anion photoelectron spectroscopy and density functional theory calculations
Xiao-Jiao Deng et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Probing Structural, Electronic, and Magnetic Properties of Iron-Doped Semiconductor Clusters Fe2Gen-/0 (n=3-12) via Joint Photoelectron Spectroscopy and Density Functional Study
Xiao-Qing Liang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Structure, Stability, and Electronic and Magnetic Properties of VGen (n=1-19) Clusters
C. Siouani et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2017)
Photoelectron Spectroscopy and Density Functional Calculations of TiGen-(n=7-12) Clusterst
Xiao-jiao Deng et al.
CHINESE JOURNAL OF CHEMICAL PHYSICS (2016)
Structural and Electronic Properties of Ruthenium-Doped Germanium Clusters
Yuanyuan Jin et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
Comprehensive genetic algorithm for ab initio global optimisation of clusters
Jijun Zhao et al.
MOLECULAR SIMULATION (2016)
Transition from exohedral to endohedral structures of AuGen- (n=2-12) clusters: photoelectron spectroscopy and ab initio calculations
Sheng-Jie Lu et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Growth behavior and electronic structure of neutral and anion ZrGen (n=1-21) clusters
S. Jaiswal et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2016)
Probing the structural evolution of ruthenium doped germanium clusters: Photoelectron spectroscopy and density functional theory calculations
Yuanyuan Jin et al.
SCIENTIFIC REPORTS (2016)
On the structural landscape in endohedral silicon and germanium clusters, M@Si12 and M@Ge12
Jose M. Goicoechea et al.
DALTON TRANSACTIONS (2015)
Spatial structure and electron energy spectrum of HfGe n - (n=6-20) clusters
N. A. Borshch et al.
INORGANIC MATERIALS (2015)
Manganese-centered ten-vertex germanium clusters: the strong field Ge10 ligand encapsulating a transition metal
M. M. Uta et al.
JOURNAL OF COORDINATION CHEMISTRY (2015)
Structure and bonding in a bimetallic endohedral cage, [Co2@Ge16]z-
Xiao Jin et al.
JOURNAL OF ORGANOMETALLIC CHEMISTRY (2015)
Photoelectron Spectroscopy and Density Functional Calculations of VGen- (n=3-12) Clusters
Xiao-Jiao Deng et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2015)
Structures and Electronic Properties of V3Sin- (n=3-14) Clusters: A Combined Ab Initio and Experimental Study
Xiaoming Huang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2015)
Spatial structure and electron energy spectra of ScGe (n) (-) (n=6-16) clusters
N. A. Borshch et al.
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B (2015)
Low-Energy Structures of Binary Pt-Sn Clusters from Global Search Using Genetic Algorithm and Density Functional Theory
Xiaoming Huang et al.
JOURNAL OF CLUSTER SCIENCE (2015)
Study of the electronic structure, stability and magnetic quenching of CrGen (n=1-17) clusters: a density functional investigation
Kapil Dhaka et al.
RSC ADVANCES (2015)
Structural and Magnetic Properties of CoGen- (n=2-11) Clusters: Photoelectron Spectroscopy and Density Functional Calculations
Xiao-Jiao Deng et al.
CHEMPHYSCHEM (2014)
Synthesis and Characterization of [Ru@Ge12]3-: An Endohedral 3-Connected Cluster
Gabriela Espinoza-Quintero et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
Discovery of a silicon-based ferrimagnetic wheel structure in VxSi12- (x=1-3) clusters: photoelectron spectroscopy and density functional theory investigation
Xiaoming Huang et al.
NANOSCALE (2014)
Spatial and electronic structures of the germanium-tantalum clusters TaGe n - (n=8-17)
N. A. Borshch et al.
PHYSICS OF THE SOLID STATE (2014)
Study of electronic properties, stabilities and magnetic quenching of molybdenum-doped germanium clusters: a density functional investigation
Ravi Trivedi et al.
RSC ADVANCES (2014)
Electronic structure and stabilities of Ni-doped germanium nanoclusters: a density functional modeling study
Kapil Dhaka et al.
JOURNAL OF MOLECULAR MODELING (2013)
New avenues to an old material: controlled nanoscale doping of germanium
Giordano Scappucci et al.
NANOSCALE (2013)
Size-selective effects in the geometry and electronic property of bimetallic Au-Ge nanoclusters
Xiaojun Li et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2013)
Cobalt-Centered Ten-Vertex Germanium Clusters: The Pentagonal Prism as an Alternative to Polyhedra Predicted by the Wade-Mingos Rules
M. M. Uta et al.
INORGANIC CHEMISTRY (2012)
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
First principle investigation into structural growth and magnetic properties in GenCr clusters for n=1-13
Neha Kapila et al.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2012)
Architecture, electronic structure and stability of TM@Ge(n) (TM = Ti, Zr and Hf; n=1-20) clusters: a density functional modeling
Manish Kumar et al.
JOURNAL OF MOLECULAR MODELING (2012)
Architectures, electronic structures, and stabilities of Cu-doped Gen clusters: density functional modeling
Debashis Bandyopadhyay
JOURNAL OF MOLECULAR MODELING (2012)
Endohedral Beryllium Atoms in Germanium Clusters with Eight and Fewer Vertices: How Small Can a Cluster Be and Still Encapsulate a Central Atom?
M. M. Uta et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Anion photoelectron spectroscopy of germanium and tin clusters containing a transition-or lanthanide-metal atom; MGen- (n=8-20) and MSnn- (n=15-17) (M = Sc-V, Y-Nb, and Lu-Ta)
Junko Atobe et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
The sphericity of the diverse 10-vertex polyhedra found in bare post-transition metal clusters: germanium clusters with interstitial magnesium atoms as model systems
M. M. Uta et al.
THEORETICAL CHEMISTRY ACCOUNTS (2012)
Bonding properties and isomeric conversion pathways from exohedral to endohedral BeGe8 clusters
Yu-Ming Hung et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2012)
The group 14 cationic clusters by encapsulation of coinage metals X10M+, with X = Ge, Sn, Pb and M = Cu, Ag, Au: Enhanced stability of 40 valence electron systems
Truong Ba Tai et al.
CHEMICAL PHYSICS LETTERS (2011)
Lowest-energy structures and electronic properties of Na-Si binary clusters from ab initio global search
Linwei Sai et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Endohedral Beryllium Atoms in Ten-Vertex Germanium Clusters: Effect of a Small Interstitial Atom on the Cluster Geometry
R. B. King et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Enhanced Stability by Three-Dimensional Aromaticity of Endohedrally Doped Clusters X10M0/- with X = Ge, Sn, Pb and M = Cu, Ag, Au
Truong Ba Tai et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Academic and industry research progress in germanium nanodevices
Ravi Pillarisetty
NATURE (2011)
Structural, electronic and magnetic properties of Mn, Co, Ni in Gen for (n=1-13)
Neha Kapila et al.
PHYSICA B-CONDENSED MATTER (2011)
Probing the geometric, optical, and magnetic properties of 3d transition-metal endohedral Ge12M (M = Sc-Ni) clusters
Chunmei Tang et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2011)
Lithium atom can be doped at the center of a germanium cage: The stable icosahedral Ge12Li- cluster and derivatives
Truong Ba Tai et al.
CHEMICAL PHYSICS LETTERS (2010)
Density Functional Investigation of Structure and Stability of Gen and GenNi (n=1-20) Clusters: Validity of the Electron Counting Rule
Debashis Bandyopadhyay et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
New Insights into Applicability of Electron-Counting Rules in Transition Metal Encapsulating Ge Cage Clusters
Debashis Bandyopadhyay et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
Geometries, stabilities, and vibrational properties of bimetallic Mo2-doped Gen (n=9-15) clusters:: A density functional investigation
Jin Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
From molecules to solids with the DMol3 approach
B Delley
JOURNAL OF CHEMICAL PHYSICS (2000)