TMGe8-17− (TM = Ti, Zr, Hf, V, Nb, Ta) clusters: group determined properties

Photoelectron Spectroscopy and Density Functional Investigation of the Structural Evolution, Electronic, and Magnetic Properties of CrSin– (n = 14–18) Clusters

(2022) Kai Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A joint experimental and theoretical study on structural, electronic, and magnetic properties of MnGen− (n = 3–14) clusters

(2021) Yi-Wei Fan et al.   JOURNAL OF CHEMICAL PHYSICS

Structures, stabilities and electronic properties of TimSi−n (m = 1‒2, n = 14‒20) clusters: a combined ab initio and experimental study

(2020) Xue Wu et al.   European Physical Journal Plus

Structural Evolution and Electronic Properties of TaSin–/0 (n = 2–15) Clusters: Size-Selected Anion Photoelectron Spectroscopy and Theoretical Calculations

(2020) Sheng-Jie Lu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Structural evolution and electronic properties of Au2Gen−/0 (n=1−8) clusters: Anion photoelectron spectroscopy and theoretical calculations

(2019) Sheng-Jie Lu et al.   CHINESE JOURNAL OF CHEMICAL PHYSICS

Atomic Structure and Electronic Properties of Anionic Germanium–Zirconium Clusters

(2018) N. A. Borshch et al.   INORGANIC MATERIALS

Growth Behavior and Electronic Structure of Noble Metal-Doped Germanium Clusters

(2018) Sofiane Mahtout et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Revisit of large-gap Si16 clusters encapsulating group-IV metal atoms (Ti, Zr, Hf)

(2018) Xue Wu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Insights of the role of shell closing model and NICS in the stability of NbGen (n = 7–18) clusters: a first-principles investigation

(2018) Ravi Kumar Triedi et al.   JOURNAL OF MATERIALS SCIENCE

Anionic Germanium–Niobium Clusters: Atomic Structure, Mechanisms of Cluster Formation, and Electronic Spectra

(2018) N. A. Borshch et al.   Russian Journal of Physical Chemistry A

Photoelectron Spectroscopy and Theoretical Study of CrnSi15–n– (n = 1–3): Effects of Doping Cr Atoms on the Structural and Magnetic Properties

(2018) Bin Yang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Electronic structure and stability of anionic AuGen (n = 1–20) clusters and assemblies: a density functional modeling

(2018) Debashis Bandyopadhyay   STRUCTURAL CHEMISTRY

Structural and magnetic properties of FeGen−/0 (n = 3-12) clusters: Mass-selected anion photoelectron spectroscopy and density functional theory calculations

(2017) Xiao-Jiao Deng et al.   JOURNAL OF CHEMICAL PHYSICS

Probing Structural, Electronic, and Magnetic Properties of Iron-Doped Semiconductor Clusters Fe2Gen–/0 (n = 3–12) via Joint Photoelectron Spectroscopy and Density Functional Study

(2017) Xiao-Qing Liang et al.   Journal of Physical Chemistry C

Photoelectron Spectroscopy and Density Functional Calculations of TiGen− (n=7–12) Clusters

(2016) Xiao-jiao Deng et al.   CHINESE JOURNAL OF CHEMICAL PHYSICS

Structural and Electronic Properties of Ruthenium-Doped Germanium Clusters

(2016) Yuanyuan Jin et al.   Journal of Physical Chemistry C

The structural and electronic properties of NbSin−/0(n = 3–12) clusters: anion photoelectron spectroscopy and ab initio calculations

(2016) Sheng-Jie Lu et al.   Nanoscale

Transition from exohedral to endohedral structures of AuGen− (n = 2–12) clusters: photoelectron spectroscopy and ab initio calculations

(2016) Sheng-Jie Lu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Probing the structural evolution of ruthenium doped germanium clusters: Photoelectron spectroscopy and density functional theory calculations

(2016) Yuanyuan Jin et al.   Scientific Reports

Spatial structure and electron energy spectrum of HfGe n – (n = 6–20) clusters

(2015) N. A. Borshch et al.   INORGANIC MATERIALS

Photoelectron Spectroscopy and Density Functional Calculations of VGen– (n = 3–12) Clusters

(2015) Xiao-Jiao Deng et al.   Journal of Physical Chemistry C

Study of the Structural and Electronic Properties of Neutral and Charged Niobium-Doped Silicon Clusters: Niobium Encapsulated in Silicon Cages

(2015) Xin Xin Xia et al.   Journal of Physical Chemistry C

Spatial structure and electron energy spectra of ScGe n − (n = 6–16) clusters

(2015) N. A. Borshch et al.   Russian Journal of Physical Chemistry B

Structural and Magnetic Properties of CoGen−(n=2-11) Clusters: Photoelectron Spectroscopy and Density Functional Calculations

(2014) Xiao-Jiao Deng et al.   CHEMPHYSCHEM

Does the 18-Electron Rule Apply to CrSi12?

(2014) Marissa Baddick Abreu et al.   Journal of Physical Chemistry Letters

Spatial and electronic structures of the germanium-tantalum clusters TaGe n − (n = 8–17)

(2014) N. A. Borshch et al.   PHYSICS OF THE SOLID STATE

Structural and bonding properties of small TiGen− (n = 2–6) clusters: photoelectron spectroscopy and density functional calculations

(2014) Xiao-Jiao Deng et al.   RSC Advances

Study of electronic properties, stabilities and magnetic quenching of molybdenum-doped germanium clusters: a density functional investigation

(2014) Ravi Trivedi et al.   RSC Advances

Photoelectron spectroscopy and density functional calculations of CuSin− (n = 4–18) clusters

(2012) Hong-Guang Xu et al.   JOURNAL OF CHEMICAL PHYSICS

Structures and magnetic properties of CrSin− (n = 3–12) clusters: Photoelectron spectroscopy and density functional calculations

(2012) Xiangyu Kong et al.   JOURNAL OF CHEMICAL PHYSICS

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)

(2012) Junko Atobe et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Architecture, electronic structure and stability of TM@Ge(n) (TM = Ti, Zr and Hf; n = 1-20) clusters: a density functional modeling

(2011) Manish Kumar et al.   JOURNAL OF MOLECULAR MODELING

The ORCA program system

(2011) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

Geometric structures of Gen (n=34–39) clusters

(2010) Wei Qin et al.   JOURNAL OF CHEMICAL PHYSICS

Property-optimized Gaussian basis sets for molecular response calculations

(2010) Dmitrij Rappoport et al.   JOURNAL OF CHEMICAL PHYSICS

Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals—Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions

(2010) Lars Goerigk et al.   Journal of Chemical Theory and Computation

Density Functional Investigation of Structure and Stability of Genand GenNi (n= 1−20) Clusters: Validity of the Electron Counting Rule

(2010) Debashis Bandyopadhyay et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Platelike structures of semiconductor clusters Gen (n=40–44)

(2009) Wei Qin et al.   JOURNAL OF CHEMICAL PHYSICS

Geometries, stabilities, and magnetic properties of MnGen (n=2–16) clusters: Density-functional theory investigations

(2009) Wen-Jie Zhao et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Geometries, stabilities, and electronic properties of (n=9–16) clusters: Density-functional theory investigations

(2008) Wen-Jie Zhao et al.   CHEMICAL PHYSICS

Competition between supercluster and stuffed cage structures in medium-sized Gen (n=30–39) clusters

(2008) Lu Wang et al.   JOURNAL OF CHEMICAL PHYSICS

No quenching of magnetic moment for the GenCo (n=1–13) clusters: First-principles calculations

(2008) Qun Jing et al.   JOURNAL OF CHEMICAL PHYSICS

Anion photoelectron spectroscopy of transition metal- and lanthanide metal-silicon clusters: MSin− (n=6–20)

(2008) Kiichirou Koyasu et al.   JOURNAL OF CHEMICAL PHYSICS

Geometries, Stabilities, and Vibrational Properties of Bimetallic Mo2-Doped Gen(n= 9−15) Clusters:  A Density Functional Investigation

(2008) Jin Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY A