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Li, Hui
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ResearcherID: H-5514-2013
Other Names: Li, Hui; Li, H.
URL: http://www.researcherid.com/rid/H-5514-2013
Keywords: potential energy surfaces, dynamics; rovibrational spectrum; computational chemistry; molecular modelling; ab initio calculations; superfluids; two dimensional ir spectroscopy; path integral;
ORCID: http://orcid.org/0000-0002-2689-2241
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My URLs: http://huiligroup.org/
 
 

This list contains papers that I have authored.

publication(s)  
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1.  Title: Diabatic-At-Construction Method for Diabatic and Adiabatic Ground and Excited States Based on Multistate Density Functional Theory.
 Author(s): Grofe, Adam; Qu, Zexing; Truhlar, Donald G; et al.
 Source: Journal of chemical theory and computation Volume: 13 Issue: 3 Pages: 1176-1187 Published: 2017-Mar-14
 DOI: 10.1021/acs.jctc.6b01176
added
29-Mar-17
2.  Title: Perturbation Approach for Computing Infrared Spectra of the Local Mode of Probe Molecules
 Author(s): Xue, Rui-Jie; Grofe, Adam; Yin, He; et al.
 Source: Journal of Chemical Theory and Computation Volume: 13 Issue: 1 Pages: 191-201 Published: JAN 2017
 Times Cited: 2
 DOI: 10.1021/acs.jctc.6b00733
added
04-Mar-17
3.  Title: A full-dimension intra- and inter-molecular ab initio potential energy surface and predicted infrared spectra for H2O-He
 Author(s): Hou, Dan; Ma, Yong-Tao; Zhang, Xiao-Long; et al.
 Source: Journal of Molecular Spectroscopy Volume: 330 Pages: 217-227 Published: DEC 2016
 Times Cited: 3
 DOI: 10.1016/j.jms.2016.07.009
added
04-Mar-17
4.  Title: Free Rotor Model or Rigid Rotor Model for CH3F-Ne Complex and Comparison with Other CH3F-Rare Gas Systems
 Author(s): Ma Yongtao; Zhao Yuanyuan; Hou Dan; et al.
 Source: Chemical Research in Chinese Universities Volume: 32 Issue: 5 Pages: 818-826 Published: OCT 2016
 Times Cited: 0
 DOI: 10.1007/s40242-016-6109-3
added
04-Mar-17
5.  Title: MoRiBS-PIMC: A program to simulate molecular rotors in bosonic solvents using path-integral Monte Carlo
 Author(s): Zeng, Tao; Blinov, Nicholas; Guillon, Gregoire; et al.
 Source: Computer Physics Communications Volume: 204 Pages: 170-188 Published: JUL 2016
 Times Cited: 0
 DOI: 10.1016/j.cpc.2016.02.025
added
04-Mar-17
6.  Title: Ro-vibrational spectrum of H2O-Ne in the nu(2) H2O bending region: A combined ab initio and experimental investigation
 Author(s): Liu, Xunchen; Hou, Dan; Thomas, Javix; et al.
 Source: Journal of Molecular Spectroscopy Volume: 330 Pages: 236-247 Published: DEC 2016
 Times Cited: 1
 DOI: 10.1016/j.jms.2016.08.011
added
04-Mar-17
7.  Title: The origins of intra- and inter-molecular vibrational couplings: A case study of H2O-Ar on full and reduced-dimensional potential energy surface
 Author(s): Hou, Dan; Ma, Yong-Tao; Zhang, Xiao-Long; et al.
 Source: Journal of Chemical Physics Volume: 144 Issue: 1 Published: JAN 7 2016
 Times Cited: 4
 DOI: 10.1063/1.4939089
added
04-Mar-17
8.  Title: Potential Generation and Path-Integral Monte Carlo in Study of Microscopic Superfluidity
 Author(s): Zeng, Tao; Li, Hui; Roy, Pierre-Nicholas
 Source: International Journal of Quantum Chemistry Volume: 115 Issue: 9 Pages: 535-540 Published: MAY 5 2015
 Times Cited: 3
 DOI: 10.1002/qua.24815
added
04-Mar-17
9.  Title: Analytical Morse/long-Range model potential and predicted infrared and microwave spectra for a symmetric top-atom dimer: A case study of CH3F-He
 Author(s): Ma, Yong-Tao; Zeng, Tao; Li, Hui
 Source: Journal of Chemical Physics Volume: 140 Issue: 21 Published: JUN 7 2014
 Times Cited: 6
 DOI: 10.1063/1.4879956
added
04-Mar-17
10.  Title: First-principles prediction of the Raman shifts in parahydrogen clusters
 Author(s): Faruk, Nabil; Schmidt, Matthew; Li, Hui; et al.
 Source: Journal of Chemical Physics Volume: 141 Issue: 1 Published: JUL 7 2014
 Times Cited: 5
 DOI: 10.1063/1.4885275
added
04-Mar-17
publication(s)  
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