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The effect of silicon doping on the geometrical structures, stability, and electronic and spectral properties of magnesium clusters: DFT study of SiMgn (n = 1‐12) clusters

International journal of quantum chemistry, 2020-05, Vol.120 (10), p.n/a

2020

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Systematic research on gallium atom-doped neutral small- and medium-sized gas-phase magnesium clusters: A DFT study of GaMgn (n=2–12) clusters

The Journal of chemical physics, 2022-09, Vol.157 (11), p.114303-114303

2022

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A single palladium atom immerses in magnesium clusters: PdMg n (n = 2–20) clusters DFT study

New journal of physics, 2021-10, Vol.23 (10), p.103002

2021

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Probing the structural evolution, electronic and spectral properties of beryllium doped magnesium and its ion clusters

New journal of chemistry, 2020-10, Vol.44 (39), p.16929-1694

2020

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Study of the hydrogen absorption behaviour of a “number-sensitive” Mg atom: ultra-high hydrogen storage in MgHn (n = 1–20) clusters

Journal of materials chemistry. A, Materials for energy and sustainability, 2023-06, Vol.11 (25), p.13774-13782

2023

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Rapid 3D roll-up of gas-phase planar gold clusters and affinity and alienation for Mg and Ge: A theoretical study of MgGeAun (n=1–12) clusters

iScience, 2022-10, Vol.25 (10), p.105215-105215, Article 105215

2022

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DFT-based study on the differences between odd and even Cn (n = 6–31) ring clusters

Results in physics, 2023-09, Vol.52, p.106852, Article 106852

2023

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DFT-Based Study of the Structure, Stability, and Spectral and Optical Properties of Gas-Phase NbMgn (n = 2-12) Clusters

ACS omega, 2023-11, Vol.8 (44), p.41391-41401

2023

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Tensor gauge condition and tensor field decomposition

Modern physics letters A, 2015-11, Vol.30 (35), p.1550192

2015

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BeMg9: A tower-like type doped magnesium clusters with high stability

Computational materials science, 2020-09, Vol.182, p.109795, Article 109795

2020

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Searching new structures of beryllium‐doped in small‐sized magnesium clusters: Be2MgnQ (Q = 0, −1; n = 1–11) clusters DFT study

Journal of computational chemistry, 2020-08, Vol.41 (21), p.1885-1897

2020

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Structural and spectral properties of Gas-phase FMgn (n = 2–20) clusters based on DFT

Scientific reports, 2024-08, Vol.14 (1), p.19274-14

2024

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Multi-scale molecular simulation of random peptide phase separation and its extended-to-compact structure transition driven by hydrophobic interactions

Soft matter, 2023-10, Vol.19 (41), p.7944-7954

2023

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Computational probe for the geometrical structure and spectroscopic properties of Ga2Mgn+ (n = 1–11) clusters

Computational and theoretical chemistry, 2021-12, Vol.1206, p.113500, Article 113500

2021

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Spin and Orbital Angular Momentum of the Tensor Gauge Field

Journal of the Physical Society of Japan, 2013-08, Vol.82 (8), p.83001

2013

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Structural and electronic properties of halogen (X)-doped aluminium clusters

Chemical physics letters, 2020-10, Vol.757, p.137870, Article 137870

2020

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Au5Br: A new member of highly stable 2D-type doped gold nanomaterial

Computational materials science, 2021-06, Vol.194, p.110446, Article 110446

2021

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Decrypting the Structural, Electronic and Spectroscopic Properties of GeMgn+(n = 2–12) Clusters: A DFT Study

Journal of cluster science, 2022-05, Vol.33 (3), p.1093-1101

2022

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Insights into the structural, electronic and spectral properties of gas-phase GaMgn+ (n = 2–12) clusters

Optik (Stuttgart), 2022-11, Vol.270, p.170093, Article 170093

2022

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Computational Exploration on the Structural and Optical Properties of Gold-Doped Alkaline-Earth Magnesium AuMgn (n = 2–12) Nanoclusters: DFT Study

Frontiers in chemistry, 2022-03, Vol.10, p.870985-870985

2022

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Systematic Theoretical Study on Structural, Stability, Electronic, and Spectral Properties of Si2MgnQ (Q = 0, ±1; n = 1–11) Clusters of Silicon-Magnesium Sensor Material

Frontiers in chemistry, 2019-11, Vol.7

2019

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Density functional theory-based study on the structural, electronic and spectral properties of gas-phase PbMg n - ( n = 2-12) clusters

Royal Society open science, 2024-09, Vol.11 (9), p.240814

2024

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Theoretical study of the geometrical and electronic properties of Be2Mg+ n (n = 1-11) clusters

Materials express, 2019-10, Vol.9 (7), p.778-785

2019

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Probing on the Stable Structure of Silicon-Doped Charged Magnesium Nanomaterial Sensor: SiMgn±1 (N = 2−12) Clusters DFT Study

Frontiers in materials, 2020-08, Vol.7

2020

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New potential stable structures of XMgn (X = Ge, C, Sn; n = 2-12) clusters: XMg8 with high stability

Journal of physics. Condensed matter, 2021-02, Vol.33 (6)

2021

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The effect of silicon doping on the geometrical structures, stability, and electronic and spectral properties of magnesium clusters: DFT study of SiMgn (n = 1‐12) clusters

Systematic research on gallium atom-doped neutral small- and medium-sized gas-phase magnesium clusters: A DFT study of GaMgn (n=2–12) clusters

A single palladium atom immerses in magnesium clusters: PdMg n (n = 2–20) clusters DFT study

Probing the structural evolution, electronic and spectral properties of beryllium doped magnesium and its ion clusters

Study of the hydrogen absorption behaviour of a “number-sensitive” Mg atom: ultra-high hydrogen storage in MgHn (n = 1–20) clusters

Rapid 3D roll-up of gas-phase planar gold clusters and affinity and alienation for Mg and Ge: A theoretical study of MgGeAun (n=1–12) clusters

DFT-based study on the differences between odd and even Cn (n = 6–31) ring clusters

DFT-Based Study of the Structure, Stability, and Spectral and Optical Properties of Gas-Phase NbMgn (n = 2-12) Clusters

Tensor gauge condition and tensor field decomposition

BeMg9: A tower-like type doped magnesium clusters with high stability

Searching new structures of beryllium‐doped in small‐sized magnesium clusters: Be2MgnQ (Q = 0, −1; n = 1–11) clusters DFT study

Structural and spectral properties of Gas-phase FMgn (n = 2–20) clusters based on DFT

Multi-scale molecular simulation of random peptide phase separation and its extended-to-compact structure transition driven by hydrophobic interactions

Computational probe for the geometrical structure and spectroscopic properties of Ga2Mgn+ (n = 1–11) clusters

Spin and Orbital Angular Momentum of the Tensor Gauge Field

Structural and electronic properties of halogen (X)-doped aluminium clusters

Au5Br: A new member of highly stable 2D-type doped gold nanomaterial

Decrypting the Structural, Electronic and Spectroscopic Properties of GeMgn+(n = 2–12) Clusters: A DFT Study

Insights into the structural, electronic and spectral properties of gas-phase GaMgn+ (n = 2–12) clusters

Computational Exploration on the Structural and Optical Properties of Gold-Doped Alkaline-Earth Magnesium AuMgn (n = 2–12) Nanoclusters: DFT Study

Systematic Theoretical Study on Structural, Stability, Electronic, and Spectral Properties of Si2MgnQ (Q = 0, ±1; n = 1–11) Clusters of Silicon-Magnesium Sensor Material

Density functional theory-based study on the structural, electronic and spectral properties of gas-phase PbMg n - ( n = 2-12) clusters

Theoretical study of the geometrical and electronic properties of Be2Mg+ n (n = 1-11) clusters

Probing on the Stable Structure of Silicon-Doped Charged Magnesium Nanomaterial Sensor: SiMgn±1 (N = 2−12) Clusters DFT Study

New potential stable structures of XMgn (X = Ge, C, Sn; n = 2-12) clusters: XMg8 with high stability

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