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Journal of Computational Chemistry
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November 1, 2018
Accurate heats of formation of polycyclic saturated hydrocarbons predicted by using the XYG3 type of doubly hybrid functionals
Igor Ying Zhang, Jianming Wu, Xin Xu
Journal of Computational Chemistry
|
August 30, 2024
How accurate can Kohn-Sham density functional be for both main-group and transition metal reactions
Yizhen Wang, Igor Ying Zhang, Xin Xu
The Journal of Chemical Physics
|
June 4, 2026
GW-BSE for molecular excited states in REST: State-of-the-art methods, acceleration strategies, and the LAMB approximation
Qirui Gao, Igor Ying Zhang, Xin Xu
The Journal of Chemical Physics
|
October 17, 2015
Insight into organic reactions from the direct random phase approximation and its corrections
Adrienn Ruzsinszky, Igor Ying Zhang, Matthias Scheffler
Nature Communications
|
April 5, 2018
Experimentally quantifying anion polarizability at the air/water interface
Yujin Tong, Igor Ying Zhang, R Kramer Campen
Journal of Computational Chemistry
|
May 18, 2013
Analytic derivatives for the XYG3 type of doubly hybrid density functionals: Theory, implementation, and assessment
Neil Qiang Su, Igor Ying Zhang, Xin Xu
Journal of Computational Chemistry
|
April 2, 2011
Accurate bond dissociation enthalpies by using doubly hybrid XYG3 functional
Igor Ying Zhang, Jianming Wu, Yi Luo, et al.
The Journal of Chemical Physics
|
April 6, 2013
Accurate prediction of nuclear magnetic resonance shielding constants: towards the accuracy of CCSD(T) complete basis set limit
Meng Sun, Igor Ying Zhang, Anan Wu, et al.
The Journal of Physical Chemistry Letters
|
March 5, 2026
Reassessing DFT Rankings for Ambimodal Cycloadditions: The Impact of Accurate CCSD(T) Benchmarks and New Doubly-Hybrid Functionals
Ruiqi Cong, Rulin Feng, Igor Ying Zhang, et al.
Journal of Computational Chemistry
|
July 6, 2012
XO: an extended ONIOM method for accurate and efficient modeling of large systems
Wenping Guo, Anan Wu, Igor Ying Zhang, et al.
Page
of 5
Search research articles
Search
Showing results (11-20 of 46) with videos related to
Sort By:
Page
of 5
Journal of Computational Chemistry
|
November 1, 2018
Accurate heats of formation of polycyclic saturated hydrocarbons predicted by using the XYG3 type of doubly hybrid functionals
Igor Ying Zhang, Jianming Wu, Xin Xu
Journal of Computational Chemistry
|
August 30, 2024
How accurate can Kohn-Sham density functional be for both main-group and transition metal reactions
Yizhen Wang, Igor Ying Zhang, Xin Xu
The Journal of Chemical Physics
|
June 4, 2026
GW-BSE for molecular excited states in REST: State-of-the-art methods, acceleration strategies, and the LAMB approximation
Qirui Gao, Igor Ying Zhang, Xin Xu
The Journal of Chemical Physics
|
October 17, 2015
Insight into organic reactions from the direct random phase approximation and its corrections
Adrienn Ruzsinszky, Igor Ying Zhang, Matthias Scheffler
Nature Communications
|
April 5, 2018
Experimentally quantifying anion polarizability at the air/water interface
Yujin Tong, Igor Ying Zhang, R Kramer Campen
Journal of Computational Chemistry
|
May 18, 2013
Analytic derivatives for the XYG3 type of doubly hybrid density functionals: Theory, implementation, and assessment
Neil Qiang Su, Igor Ying Zhang, Xin Xu
Journal of Computational Chemistry
|
April 2, 2011
Accurate bond dissociation enthalpies by using doubly hybrid XYG3 functional
Igor Ying Zhang, Jianming Wu, Yi Luo, et al.
The Journal of Chemical Physics
|
April 6, 2013
Accurate prediction of nuclear magnetic resonance shielding constants: towards the accuracy of CCSD(T) complete basis set limit
Meng Sun, Igor Ying Zhang, Anan Wu, et al.
The Journal of Physical Chemistry Letters
|
March 5, 2026
Reassessing DFT Rankings for Ambimodal Cycloadditions: The Impact of Accurate CCSD(T) Benchmarks and New Doubly-Hybrid Functionals
Ruiqi Cong, Rulin Feng, Igor Ying Zhang, et al.
Journal of Computational Chemistry
|
July 6, 2012
XO: an extended ONIOM method for accurate and efficient modeling of large systems
Wenping Guo, Anan Wu, Igor Ying Zhang, et al.
Page
of 5