Search Results - "Sheng-Jie, Lu" :: K.UTB vyhledávací portál | TBU Library Retrieval Portal

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

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

by Lu, Sheng-Jie
Published in The Journal of chemical physics (21.03.2024)

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Journal Article

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

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

by Lu, Sheng-Jie
Published in Molecular physics (17.06.2020)

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

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

by Wang, Kang, Lu, Sheng-Jie, Zhang, Chuan-Biao
Published in Theoretical chemistry accounts (01.04.2022)

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

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

by Lu, Sheng-Jie, Wu, Yi-Fang
Published in Theoretical chemistry accounts (01.07.2020)

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

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

by Lu, Sheng-Jie, Wang, Meng-Yuan, Wu, Li-Shun, Wu, Yi-Fang
Published in Molecular physics (01.12.2020)

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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

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

by Lu, Sheng-Jie, Wu, Li-Shun, Yin, Bao-Hua, Lin, Feng, Chao, Ming-Yong
Published in Molecular physics (02.07.2020)

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

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

by Sheng-Jie, Lu, Li-Shun, Wu, Bao-Hua, Yin, Lin, Feng, Ming-Yong, Chao
Published in Physical chemistry chemical physics : PCCP (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

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

by Lu, Sheng-Jie, Wu, Li-Shun, Yin, Bao-Hua, Lin, Feng, Chao, Ming-Yong
Published in Molecular physics (02.04.2020)

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

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

by Lu, Sheng-Jie
Published in Physical chemistry chemical physics : PCCP (02.11.2022)

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

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

by Lu, Sheng-Jie
Published in Molecular physics (02.09.2022)

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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

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

by Sheng-Jie, Lu
Published in New journal of chemistry (21.03.2021)

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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

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

by Lu, Sheng-Jie
Published in Molecular physics (17.06.2020)

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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

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

by Lu, Sheng-Jie
Published in Physical chemistry chemical physics : PCCP (01.01.2020)

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

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

by Lu, Sheng-Jie
Published in Theoretical chemistry accounts (01.04.2019)

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Structural and bonding analysis of PtO2− anion and neutral clusters

Structural and bonding analysis of PtO2− anion and neutral clusters

by Lu, Sheng-Jie, Wang, Kang
Published in Journal of molecular structure (05.04.2024)

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

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

by Lu, Sheng-Jie
Published in Physical chemistry chemical physics : PCCP (01.01.2019)

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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

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

by Sheng-Jie, Lu
Published in Molecular physics (17.06.2020)

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Journal Article

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

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

by Lu, Sheng-Jie
Published in Chemical physics letters (16.02.2018)

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

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

by Lu, Sheng-Jie
Published in Computational and theoretical chemistry (01.01.2021)

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

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

by Lu, Sheng-Jie, Wang, Kang
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.10.2021)

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