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Unveiling the structural and bonding properties of AuSi2− and AuSi3− clusters: A comprehensive analysis of anion photoelectron spectroscopy and ab initio calculations

The Journal of chemical physics, 2024-03, Vol.160 (11)

Lu, Sheng-Jie

2024

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B3Ge12: a aromatic molecular sandwich-shaped structure with short B−B single bonds coordinated by a Ge12 hexagonal prism and reinforced by σ + π double delocalised bonding patterns

Molecular physics, 2020-06, Vol.118 (12)

Lu, Sheng-Jie

2020

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B6C8 and its anion: a planar dodecagon reinforced by the central strong B−B single bond and aromaticity

Theoretical chemistry accounts, 2022-04, Vol.141 (4), Article 27

2022

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The aromatic fullerene-like silicon cage with 12 Si5 pentagons stabilized by a V3 unit

Theoretical chemistry accounts, 2020-07, Vol.139 (7), Article 116

2020

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Structure determination and bonding properties of gas-phase OPt2− anion and its neutral form

Physical chemistry chemical physics : PCCP, 2022-11, Vol.24 (42), p.26023-26028

Lu, Sheng-Jie

2022

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Structural and bonding properties of gas-phase M4C6 (M = Cu, Ag, and Au) clusters and their anions

Molecular physics, 2022-09, Vol.120 (17)

Lu, Sheng-Jie

2022

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Modification of geometrical and electronic structures of anionic and neutral silicon clusters by double-doped tantalum atoms

Molecular physics, 2020-12, Vol.118 (23), p.e1770883

2020

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Anion photoelectron spectroscopy and quantum chemistry calculations of TaSi16−/0 clusters: global minimum fullerene-like cage structure, bonding and superatom properties

New journal of chemistry, 2021-03, Vol.45 (11), p.5266-5271

Sheng-Jie, Lu

2021

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Au2Si20: a honeycomb-shaped structure with short Au−Au single bond at the centre coordinated by twelve Si5 pentagons and reinforced by strong Au−Si interactions and aromaticity

Molecular physics, 2020-07, Vol.118 (13)

2020

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Dynamical fluxionality, multiplicity of structural forms, and electronic properties of the B3Si11 cluster: anion photoelectron spectroscopy and theoretical calculations

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (23), p.12241-12249

2019

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Quantum chemical calculation studies of PdnSi12 (n = 1-3) clusters: effects of doping Pd atoms on the structural and electronic properties

Molecular physics, 2020-04, Vol.118 (7)

2020

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Dynamical fluxionality, multiplicity of geometrical forms, and electronic properties of anionic, neutral, and cationic Ta n Si12 (n = 1-3) clusters: quantum chemical calculations

Molecular physics, 2020-06, Vol.118 (12)

Lu, Sheng-Jie

2020

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Structural evolution from exohedral to endohedral geometries, dynamical fluxionality, and structural forms of medium-sized anionic and neutral Au2Sin (n = 8–20) clusters

Physical chemistry chemical physics : PCCP, 2020-01, Vol.22 (44), p.25606-25617

Lu, Sheng-Jie

2020

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Exploring the structural and electronic properties of double-Fe atom-doped Si20 cluster by quantum chemical calculations

Theoretical chemistry accounts, 2019-04, Vol.138 (4), p.1-7, Article 48

Lu, Sheng-Jie

2019

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Structural and bonding analysis of PtO2− anion and neutral clusters

Journal of molecular structure, 2024-04, Vol.1301, p.137432, Article 137432

2024

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Dynamical fluxionality, multiplicity of geometrical forms, and electronic properties of anionic, neutral, and cationic TanSi12 (n = 1–3) clusters: quantum chemical calculations

Molecular physics, 2020-06, Vol.118 (12)

Sheng-Jie, Lu

2020

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Transition from exohedral to endohedral geometries of anionic and neutral B4Sin (n = 4–15) clusters: quantum chemical calculations

Physical chemistry chemical physics : PCCP, 2019-01, Vol.21 (47), p.26154-26165

Lu, Sheng-Jie

2019

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Probing the geometric structures and electronic properties of anionic and neutral Pt3C2 clusters by density functional calculations

Chemical physics letters, 2018-02, Vol.694, p.70-74

Lu, Sheng-Jie

2018

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Structural and electronic properties of PtnSi12 (n = 1–4) clusters: Quantum chemical calculations

Computational and theoretical chemistry, 2021-01, Vol.1195, p.113091, Article 113091

Lu, Sheng-Jie

2021

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Structural Determination and Bonding Properties of Gas-Phase Ternary [O, Ta, 2C]− Anions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-10, Vol.125 (40), p.8907-8911

2021

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Structural evolution and bonding properties of Nb1–2Gen−/0 (n = 3–7) clusters: Anion photoelectron spectroscopy and theoretical calculations

The Journal of chemical physics, 2024-04, Vol.160 (16)

2024

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Theoretical investigations of V3Si2−: A D3h symmetric triangular bipyramidal structure with σ and π double bonding patterns

Chemical physics letters, 2023-09, Vol.827, p.140701, Article 140701

2023

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Anion Photoelectron Spectroscopy and Quantum Chemistry Calculations of Gas-Phase TaSi17̅ and TaSi18̅ Clusters: Structural Determination, Bonding Characteristics, and Multiplicity of Structural Forms

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-03, Vol.128 (10), p.1863-1870

2024

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Structural Determination and Bonding Characteristics of the Gas-Phase Ta2Si2̅ Anion and Its Neutral: Anion Photoelectron Spectroscopy and Theoretical Studies

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-11, Vol.127 (46), p.9797-9803

2023

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

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-11, Vol.124 (47), p.9818-9831

2020

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Unveiling the structural and bonding properties of AuSi2− and AuSi3− clusters: A comprehensive analysis of anion photoelectron spectroscopy and ab initio calculations

B3Ge12: a aromatic molecular sandwich-shaped structure with short B−B single bonds coordinated by a Ge12 hexagonal prism and reinforced by σ + π double delocalised bonding patterns

B6C8 and its anion: a planar dodecagon reinforced by the central strong B−B single bond and aromaticity

The aromatic fullerene-like silicon cage with 12 Si5 pentagons stabilized by a V3 unit

Structure determination and bonding properties of gas-phase OPt2− anion and its neutral form

Structural and bonding properties of gas-phase M4C6 (M = Cu, Ag, and Au) clusters and their anions

Modification of geometrical and electronic structures of anionic and neutral silicon clusters by double-doped tantalum atoms

Anion photoelectron spectroscopy and quantum chemistry calculations of TaSi16−/0 clusters: global minimum fullerene-like cage structure, bonding and superatom properties

Au2Si20: a honeycomb-shaped structure with short Au−Au single bond at the centre coordinated by twelve Si5 pentagons and reinforced by strong Au−Si interactions and aromaticity

Dynamical fluxionality, multiplicity of structural forms, and electronic properties of the B3Si11 cluster: anion photoelectron spectroscopy and theoretical calculations

Quantum chemical calculation studies of PdnSi12 (n = 1-3) clusters: effects of doping Pd atoms on the structural and electronic properties

Dynamical fluxionality, multiplicity of geometrical forms, and electronic properties of anionic, neutral, and cationic Ta n Si12 (n = 1-3) clusters: quantum chemical calculations

Structural evolution from exohedral to endohedral geometries, dynamical fluxionality, and structural forms of medium-sized anionic and neutral Au2Sin (n = 8–20) clusters

Exploring the structural and electronic properties of double-Fe atom-doped Si20 cluster by quantum chemical calculations

Structural and bonding analysis of PtO2− anion and neutral clusters

Dynamical fluxionality, multiplicity of geometrical forms, and electronic properties of anionic, neutral, and cationic TanSi12 (n = 1–3) clusters: quantum chemical calculations

Transition from exohedral to endohedral geometries of anionic and neutral B4Sin (n = 4–15) clusters: quantum chemical calculations

Probing the geometric structures and electronic properties of anionic and neutral Pt3C2 clusters by density functional calculations

Structural and electronic properties of PtnSi12 (n = 1–4) clusters: Quantum chemical calculations

Structural Determination and Bonding Properties of Gas-Phase Ternary [O, Ta, 2C]− Anions

Structural evolution and bonding properties of Nb1–2Gen−/0 (n = 3–7) clusters: Anion photoelectron spectroscopy and theoretical calculations

Theoretical investigations of V3Si2−: A D3h symmetric triangular bipyramidal structure with σ and π double bonding patterns

Anion Photoelectron Spectroscopy and Quantum Chemistry Calculations of Gas-Phase TaSi17̅ and TaSi18̅ Clusters: Structural Determination, Bonding Characteristics, and Multiplicity of Structural Forms

Structural Determination and Bonding Characteristics of the Gas-Phase Ta2Si2̅ Anion and Its Neutral: Anion Photoelectron Spectroscopy and Theoretical Studies

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

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