Bing Yin

Key Laboratory Of Synthetic And Natural Functional Molecule Of The Ministry Of Education
Xi'an, 710127, China

Last Updated: 09/26/2026

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Found 46 publications

An Ab Initio Calculation and Feature Attribution Analysis Study on Bipyramidal Mononuclear Dysprosium Complexes: Magnetic Anisotropy, Single-Molecule Magnet Property, and the Effect of Covalency.

An Ab Initio Calculation and Feature Attribution Analysis Study on Bipyramidal Mononuclear Dysprosium Complexes: Magnetic Anisotropy, Single-Molecule Magnet Property, and the Effect of Covalency.

Journal: Inorganic chemistry

Published: February 17, 2026

Unravelling the Reason for Transition from the Field-Induced Single-Molecule Magnet to Zero-Field One in a Group of Dysprosium Complexes via Ab Initio Calculation.

Unravelling the Reason for Transition from the Field-Induced Single-Molecule Magnet to Zero-Field One in a Group of Dysprosium Complexes via Ab Initio Calculation.

Journal: The journal of physical chemistry. A

Published: June 23, 2025

Auxiliary Rather Than Dominant. The Role of Direct Dy-S Coordination in Single-Molecule Magnet Unveiled via ab initio Study.

Auxiliary Rather Than Dominant. The Role of Direct Dy-S Coordination in Single-Molecule Magnet Unveiled via ab initio Study.

Journal: The journal of physical chemistry. A

Published: July 01, 2024

Ab initio prediction of key parameters and magneto-structural correlation of tetracoordinated lanthanide single-ion magnets.

Ab initio prediction of key parameters and magneto-structural correlation of tetracoordinated lanthanide single-ion magnets.

Journal: Physical chemistry chemical physics : PCCP

Published: July 04, 2023

Influence of ligand substitution and the solvent effect on the structures and magnetic properties of dinuclear Dy2 supramolecular architectures constructed with the bis-β-diketonate-Dy2 building block as a metalloligand.

Influence of ligand substitution and the solvent effect on the structures and magnetic properties of dinuclear Dy2 supramolecular architectures constructed with the bis-β-diketonate-Dy2 building block as a metalloligand.

Journal: Dalton transactions (Cambridge, England : 2003)

Published: January 12, 2023

The interpretation and prediction of lanthanide single-ion magnets from ab initio electronic structure calculation: the capability and limit.

The interpretation and prediction of lanthanide single-ion magnets from ab initio electronic structure calculation: the capability and limit.

Journal: Dalton transactions (Cambridge, England : 2003)

Published: September 15, 2022

Assessment of XC functionals for the study of organic molecules with superhalogen substitution. A systematic comparison between DFT and CCSD(T).

Assessment of XC functionals for the study of organic molecules with superhalogen substitution. A systematic comparison between DFT and CCSD(T).

Journal: The Journal of chemical physics

Published: May 14, 2022

The coexistence of long τQTM and high Ueff as a concise criterion for a good single-molecule magnet: a theoretical case study of square antiprism dysprosium single-ion magnets.

The coexistence of long τQTM and high Ueff as a concise criterion for a good single-molecule magnet: a theoretical case study of square antiprism dysprosium single-ion magnets.

Journal: Physical chemistry chemical physics : PCCP

Published: May 04, 2022

Regulating the magnetic properties of seven-coordinated Dy(III) single-ion magnets through the effect of positional isomers on axial crystal-field.

Regulating the magnetic properties of seven-coordinated Dy(III) single-ion magnets through the effect of positional isomers on axial crystal-field.

Journal: Dalton transactions (Cambridge, England : 2003)

Published: November 17, 2021

Improving the single-molecule magnet properties of two pentagonal bipyramidal Dy3+ compounds by the introduction of both electron-withdrawing and -donating groups.

Improving the single-molecule magnet properties of two pentagonal bipyramidal Dy3+ compounds by the introduction of both electron-withdrawing and -donating groups.

Journal: Dalton transactions (Cambridge, England : 2003)

Published: September 21, 2021

Exploring the Superhalogen Properties of Polynuclear Structures without Halogen Ligands: A Combined Ab Initio and DFT Study on Triple-Bridged [Mg2L5]-1 (L = -OCN, -SCN) Anions.

Exploring the Superhalogen Properties of Polynuclear Structures without Halogen Ligands: A Combined Ab Initio and DFT Study on Triple-Bridged [Mg2L5]-1 (L = -OCN, -SCN) Anions.

Journal: The journal of physical chemistry. A

Published: April 15, 2021

The anisotropy of the internal magnetic field on the central ion is capable of imposing great impact on the quantum tunneling of magnetization of Kramers single-ion magnets.

The anisotropy of the internal magnetic field on the central ion is capable of imposing great impact on the quantum tunneling of magnetization of Kramers single-ion magnets.

Journal: Physical chemistry chemical physics : PCCP

Published: January 25, 2021

Showing 1-12 of 46

Last Updated: 09/26/2026