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The Journal of Physical Chemistry Letters
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March 10, 2021
Exploring the Limits of the XYG3-Type Doubly Hybrid Approximations for the Main-Group Chemistry: The xDH@B3LYP Model
Igor Ying Zhang, Xin Xu
The Journal of Physical Chemistry Letters
|
August 19, 2015
Reaching a Uniform Accuracy for Complex Molecular Systems: Long-Range-Corrected XYG3 Doubly Hybrid Density Functional
Igor Ying Zhang, Xin Xu
Physical Chemistry Chemical Physics : PCCP
|
June 9, 2012
XYG3 and XYGJ-OS performances for noncovalent binding energies relevant to biomolecular structures
Igor Ying Zhang, Xin Xu
The Journal of Physical Chemistry Letters
|
May 4, 2019
Simultaneous Attenuation of Both Self-Interaction Error and Nondynamic Correlation Error in Density Functional Theory: A Spin-Pair Distinctive Adiabatic-Connection Approximation
Igor Ying Zhang, Xin Xu
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 15, 2012
Gas-phase thermodynamics as a validation of computational catalysis on surfaces: a case study of Fischer-Tropsch synthesis
Igor Ying Zhang, Xin Xu
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 30, 2010
The X1s method for accurate bond dissociation energies
Jianming Wu, Igor Ying Zhang, Xin Xu
The Journal of Chemical Physics
|
May 27, 2010
XYG3s: Speedup of the XYG3 fifth-rung density functional with scaling-all-correlation method
Igor Ying Zhang, Yi Luo, Xin Xu
Chemical Communications (Cambridge, England)
|
April 8, 2010
Extending the reliability and applicability of B3LYP
Igor Ying Zhang, Jianming Wu, Xin Xu
Nature Communications
|
January 2, 2025
A cross-entropy corrected hybrid multiconfiguration pair-density functional theory for complex molecular systems
Rulin Feng, Igor Ying Zhang, Xin Xu
The Journal of Chemical Physics
|
September 21, 2010
Basis set dependence of the doubly hybrid XYG3 functional
Igor Ying Zhang, Yi Luo, Xin Xu
Page
of 5
Search research articles
Search
Showing results (1-10 of 46) with videos related to
Sort By:
Page
of 5
The Journal of Physical Chemistry Letters
|
March 10, 2021
Exploring the Limits of the XYG3-Type Doubly Hybrid Approximations for the Main-Group Chemistry: The xDH@B3LYP Model
Igor Ying Zhang, Xin Xu
The Journal of Physical Chemistry Letters
|
August 19, 2015
Reaching a Uniform Accuracy for Complex Molecular Systems: Long-Range-Corrected XYG3 Doubly Hybrid Density Functional
Igor Ying Zhang, Xin Xu
Physical Chemistry Chemical Physics : PCCP
|
June 9, 2012
XYG3 and XYGJ-OS performances for noncovalent binding energies relevant to biomolecular structures
Igor Ying Zhang, Xin Xu
The Journal of Physical Chemistry Letters
|
May 4, 2019
Simultaneous Attenuation of Both Self-Interaction Error and Nondynamic Correlation Error in Density Functional Theory: A Spin-Pair Distinctive Adiabatic-Connection Approximation
Igor Ying Zhang, Xin Xu
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 15, 2012
Gas-phase thermodynamics as a validation of computational catalysis on surfaces: a case study of Fischer-Tropsch synthesis
Igor Ying Zhang, Xin Xu
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 30, 2010
The X1s method for accurate bond dissociation energies
Jianming Wu, Igor Ying Zhang, Xin Xu
The Journal of Chemical Physics
|
May 27, 2010
XYG3s: Speedup of the XYG3 fifth-rung density functional with scaling-all-correlation method
Igor Ying Zhang, Yi Luo, Xin Xu
Chemical Communications (Cambridge, England)
|
April 8, 2010
Extending the reliability and applicability of B3LYP
Igor Ying Zhang, Jianming Wu, Xin Xu
Nature Communications
|
January 2, 2025
A cross-entropy corrected hybrid multiconfiguration pair-density functional theory for complex molecular systems
Rulin Feng, Igor Ying Zhang, Xin Xu
The Journal of Chemical Physics
|
September 21, 2010
Basis set dependence of the doubly hybrid XYG3 functional
Igor Ying Zhang, Yi Luo, Xin Xu
Page
of 5