Neil Qiang Su

Publication Activity (10 Years)

Years Active: 2013-2017
Publications (10 Years): 2

Top Topics

Computational Model

Theoretical Framework

Top Venues

J. Comput. Chem.

Publications

Jun Chen, Neil Qiang Su, Xin Xu, Dong H. Zhang
Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional. J. Comput. Chem. 38 (27) (2017)
Yingdi Jin, Neil Qiang Su, Xin Xu, Hao Hu
Self-consistent field for fragmented quantum mechanical model of large molecular systems. J. Comput. Chem. 37 (3) (2016)
Tonghao Shen, Neil Qiang Su, Anan Wu, Xin Xu
Perturbative treatment of anharmonic vibrational effects on bond distances: An extended langevin dynamics method. J. Comput. Chem. 35 (6) (2014)
Neil Qiang Su, Igor Ying Zhang, Xin Xu
Erratum: analytic derivatives for the XYG3 type of doubly hybrid density functionals: Theory, implementation, and assessment. J. Comput. Chem. 34 (27) (2013)
Neil Qiang Su, Igor Ying Zhang, Xin Xu
Analytic derivatives for the XYG3 type of doubly hybrid density functionals: Theory, implementation, and assessment. J. Comput. Chem. 34 (20) (2013)