Neil Qiang Su

According to our database, Neil Qiang Su authored at least 5 papers between 2013 and 2017.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2017

Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional.

Jun Chen, Neil Qiang Su, Xin Xu, Dong H. Zhang

J. Comput. Chem., 2017

2016

Self-consistent field for fragmented quantum mechanical model of large molecular systems.

Yingdi Jin, Neil Qiang Su, Xin Xu, Hao Hu

J. Comput. Chem., 2016

2014

Perturbative treatment of anharmonic vibrational effects on bond distances: An extended langevin dynamics method.

Tonghao Shen, Neil Qiang Su, Anan Wu, Xin Xu

J. Comput. Chem., 2014

2013

Erratum: analytic derivatives for the XYG3 type of doubly hybrid density functionals: Theory, implementation, and assessment.

Neil Qiang Su, Igor Ying Zhang, Xin Xu

J. Comput. Chem., 2013

Analytic derivatives for the XYG3 type of doubly hybrid density functionals: Theory, implementation, and assessment.

Neil Qiang Su, Igor Ying Zhang, Xin Xu

J. Comput. Chem., 2013