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。Photoelectron Spectroscopy and Density Functional Investigation of the Structural Evolution, Electronic, and Magnetic Properties of CrSin- (n=14-18) Clusters
Kai Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2022)
Structures and electronic properties of VSin- (n=14-20) clusters: a combined experimental and density functional theory study
Kai Wang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)
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)
Structures, stabilities and electronic properties of TimSi-n (m=1-2, n=14-20) clusters: a combined ab initio and experimental study
Xue Wu et al.
EUROPEAN PHYSICAL JOURNAL PLUS (2020)
Structural Evolution and Electronic Properties of TaSin-/0 (n=2-15) Clusters: Size-Selected Anion Photoelectron Spectroscopy and Theoretical Calculations
Sheng-Jie Lu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2020)
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)
Structural Evolution and Electronic Properties of Au2Gen-/0 (n=1-8) Clusters: Anion Photoelectron Spectroscopy and Theoretical Calculations
Sheng-Jie Lu et al.
CHINESE JOURNAL OF CHEMICAL PHYSICS (2019)
Electronic structure and stability of anionic AuGen (n=1-20) clusters and assemblies: a density functional modeling
Debashis Bandyopadhyay
STRUCTURAL CHEMISTRY (2019)
Atomic Structure and Electronic Properties of Anionic Germanium-Zirconium Clusters
N. A. Borshch et al.
INORGANIC MATERIALS (2018)
Growth Behavior and Electronic Structure of Noble Metal-Doped Germanium Clusters
Sofiane Mahtout et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2018)
Revisit of large-gap Si-16 clusters encapsulating group-IV metal atoms (Ti, Zr, Hf)
Xue Wu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (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)
Photoelectron Spectroscopy and Theoretical Study of CrnSi15-n- (n=1-3): Effects of Doping Cr Atoms on the Structural and Magnetic Properties
Bin Yang et al.
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)
Study of the Structural and Electronic Properties of Neutral and Charged Niobium-Doped Silicon Clusters: Niobium Encapsulated in Silicon Cages
Xin Xin Xia et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
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)
The structural and electronic properties of NbSin-/0 (n=3-12) clusters: anion photoelectron spectroscopy and ab initio calculations
Sheng-Jie Lu et al.
NANOSCALE (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)
Probing the structural evolution of ruthenium doped germanium clusters: Photoelectron spectroscopy and density functional theory calculations
Yuanyuan Jin et al.
SCIENTIFIC REPORTS (2016)
Spatial structure and electron energy spectrum of HfGe n - (n=6-20) clusters
N. A. Borshch et al.
INORGANIC MATERIALS (2015)
Photoelectron Spectroscopy and Density Functional Calculations of VGen- (n=3-12) Clusters
Xiao-Jiao Deng 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)
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)
Does the 18-Electron Rule Apply to CrSi12?
Marissa Baddick Abreu et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (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)
Structural and bonding properties of small TiGen- (n = 2-6) clusters: photoelectron spectroscopy and density functional calculations
Xiao-Jiao Deng et al.
RSC ADVANCES (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)
Photoelectron spectroscopy and density functional calculations of CuSin- (n=4-18) clusters
Hong-Guang Xu et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Structures and magnetic properties of CrSin- (n=3-12) clusters: Photoelectron spectroscopy and density functional calculations
Xiangyu Kong et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (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)
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 ORCA program system
Frank Neese
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)
Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals-Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions
Lars Goerigk et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Geometric structures of Gen (n=34-39) clusters
Wei Qin et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Property-optimized Gaussian basis sets for molecular response calculations
Dmitrij Rappoport et al.
JOURNAL OF CHEMICAL PHYSICS (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)
Platelike structures of semiconductor clusters Gen (n=40-44)
Wei Qin et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Geometries, stabilities, and magnetic properties of MnGen (n=2-16) clusters: Density-functional theory investigations
Wen-Jie Zhao et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2009)
Geometries, stabilities, and electronic properties of FeGen (n=9-16) clusters:: Density-functional theory investigations
Wen-Jie Zhao et al.
CHEMICAL PHYSICS (2008)
Competition between supercluster and stuffed cage structures in medium-sized Gen (n=30-39) clusters
Lu Wang et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
No quenching of magnetic moment for the GenCo, (n=1-13) clusters:: First-principles calculations
Qun Jing et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Anion photoelectron spectroscopy of transition metal- and lanthanide metal-silicon clusters: MSin- (n=6-20)
Kiichirou Koyasu et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
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)
Geometries and electronic properties of the tungsten-doped germanium clusters:: WGen (n=1-17)
Jin Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Search for global-minimum geometries of medium-sized germanium clusters.: II.: Motif-based low-lying clusters Ge21-Ge29
S. Yoo et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
A theoretical study on growth patterns of Ni-doped germanium clusters
J Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Accurate Coulomb-fitting basis sets for H to Rn
F Weigend
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)
Thorium encapsulated caged clusters of germanium:: Th@Gen, n = 16, 18, and 20
AK Singh et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Search for global minimum geometries for medium sized germanium clusters:: Ge12-Ge20 -: art. no. 164305
S Bulusu et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Selective formation of MSi16 (M = Sc, Ti, and V)
K Koyasu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
F Weigend et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
An improvement of the resolution of the identity approximation for the formation of the Coulomb matrix
F Neese
JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)
Geometric and electronic structures of metal (M)-doped silicon clusters (M = Ti, Hf, Mo and W)
M Ohara et al.
CHEMICAL PHYSICS LETTERS (2003)