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The Journal of Chemical Physics
|
October 16, 2012
New implementation of the configuration-based multi-reference second order perturbation theory
Yibo Lei, Yubin Wang, Huixian Han, et al.
The Journal of Physical Chemistry. A
|
December 3, 2025
Characterization of S<sub>2</sub>O and S<sub>2</sub>O<sup>-</sup> by Vibrational and Photoelectron Spectra Using a Quantum Mechanical Approach
Chunlei Teng, Siting Hou, Changjian Xie, et al.
The Journal of Chemical Physics
|
November 3, 2014
New schemes for internally contracted multi-reference configuration interaction
Yubin Wang, Huixian Han, Yibo Lei, et al.
The Journal of Chemical Physics
|
March 6, 2024
GUGA-based MRCI approach with core-valence separation approximation (CVS) for the calculation of the core-excited states of molecules
Qi Song, Baoyuan Liu, Junfeng Wu, et al.
The Journal of Chemical Physics
|
March 24, 2017
High-resolution electronic spectra of yttrium oxide (YO): The D<sup>2</sup>Σ<sup>+</sup>-X<sup>2</sup>Σ<sup>+</sup> transition
Deping Zhang, Qiang Zhang, Boxing Zhu, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 17, 2024
Applications of metal nanoclusters supported on the two-dimensional material graphene in electrocatalytic carbon dioxide reduction
Shanlin Chen, Haiyan Zhu, Tingting Li, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 23, 2021
A theoretical study of the electrochemical reduction of CO<sub>2</sub> on cerium dioxide supported palladium single atoms and nanoparticles
Yannv Guo, Haiyan Zhu, He Zhao, et al.
Journal of Computational Chemistry
|
January 17, 2023
Machine-learning assisted scheduling optimization and its application in quantum chemical calculations
Yingjin Ma, ZhiYing Li, Xin Chen, et al.
ACS Applied Materials & Interfaces
|
September 24, 2024
Theoretical Design and Study of a Single-Atom Catalyst in Lithium-Sulfur Batteries: Edge-Type FeN<sub>4</sub> Active Site Electron Density Redistribution Driven by Heteroatoms
Chou Wu, Haiyan Zhu, Shaobo Jia, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
October 22, 2025
Axial Fluorine-Modulated M-N<sub>4</sub>-C SACs for Electrochemical CO<sub>2</sub> Reduction: Mechanistic Insights into Ligand Interaction Strength
Shanlin Chen, Haiyan Zhu, Tingting Li, et al.
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Search research articles
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Showing results (31-40 of 42) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
October 16, 2012
New implementation of the configuration-based multi-reference second order perturbation theory
Yibo Lei, Yubin Wang, Huixian Han, et al.
The Journal of Physical Chemistry. A
|
December 3, 2025
Characterization of S<sub>2</sub>O and S<sub>2</sub>O<sup>-</sup> by Vibrational and Photoelectron Spectra Using a Quantum Mechanical Approach
Chunlei Teng, Siting Hou, Changjian Xie, et al.
The Journal of Chemical Physics
|
November 3, 2014
New schemes for internally contracted multi-reference configuration interaction
Yubin Wang, Huixian Han, Yibo Lei, et al.
The Journal of Chemical Physics
|
March 6, 2024
GUGA-based MRCI approach with core-valence separation approximation (CVS) for the calculation of the core-excited states of molecules
Qi Song, Baoyuan Liu, Junfeng Wu, et al.
The Journal of Chemical Physics
|
March 24, 2017
High-resolution electronic spectra of yttrium oxide (YO): The D<sup>2</sup>Σ<sup>+</sup>-X<sup>2</sup>Σ<sup>+</sup> transition
Deping Zhang, Qiang Zhang, Boxing Zhu, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 17, 2024
Applications of metal nanoclusters supported on the two-dimensional material graphene in electrocatalytic carbon dioxide reduction
Shanlin Chen, Haiyan Zhu, Tingting Li, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 23, 2021
A theoretical study of the electrochemical reduction of CO<sub>2</sub> on cerium dioxide supported palladium single atoms and nanoparticles
Yannv Guo, Haiyan Zhu, He Zhao, et al.
Journal of Computational Chemistry
|
January 17, 2023
Machine-learning assisted scheduling optimization and its application in quantum chemical calculations
Yingjin Ma, ZhiYing Li, Xin Chen, et al.
ACS Applied Materials & Interfaces
|
September 24, 2024
Theoretical Design and Study of a Single-Atom Catalyst in Lithium-Sulfur Batteries: Edge-Type FeN<sub>4</sub> Active Site Electron Density Redistribution Driven by Heteroatoms
Chou Wu, Haiyan Zhu, Shaobo Jia, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
October 22, 2025
Axial Fluorine-Modulated M-N<sub>4</sub>-C SACs for Electrochemical CO<sub>2</sub> Reduction: Mechanistic Insights into Ligand Interaction Strength
Shanlin Chen, Haiyan Zhu, Tingting Li, et al.
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