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Li, Hui, Le Roy, Robert J. (2008) Analytic three-dimensional ‘MLR’ potential energy surface for CO2–He, and its predicted microwave and infrared spectra. Physical Chemistry Chemical Physics, 10 (28). 4128pp. doi:10.1039/b800718g

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Reference TypeJournal (article/letter/editorial)
TitleAnalytic three-dimensional ‘MLR’ potential energy surface for CO2–He, and its predicted microwave and infrared spectra
JournalPhysical Chemistry Chemical Physics
AuthorsLi, HuiAuthor
Le Roy, Robert J.Author
Year2008Volume10
Issue28
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/b800718gSearch in ResearchGate
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Mindat Ref. ID4010705Long-form Identifiermindat:1:5:4010705:7
GUID0
Full ReferenceLi, Hui, Le Roy, Robert J. (2008) Analytic three-dimensional ‘MLR’ potential energy surface for CO2–He, and its predicted microwave and infrared spectra. Physical Chemistry Chemical Physics, 10 (28). 4128pp. doi:10.1039/b800718g
Plain TextLi, Hui, Le Roy, Robert J. (2008) Analytic three-dimensional ‘MLR’ potential energy surface for CO2–He, and its predicted microwave and infrared spectra. Physical Chemistry Chemical Physics, 10 (28). 4128pp. doi:10.1039/b800718g
In(2008) Physical Chemistry Chemical Physics Vol. 10 (28) Royal Society of Chemistry (RSC)

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Li, Hui, Roy, Pierre-Nicholas, Le Roy, Robert J. (2010) Analytic Morse/long-range potential energy surfaces and predicted infrared spectra for CO2–H2. The Journal of Chemical Physics, 132 (21). 214309pp. doi:10.1063/1.3428619
Li, Hui, Zhang, Xiao-Long, Le Roy, Robert J., Roy, Pierre-Nicholas (2013) Analytic Morse/long-range potential energy surfaces and predicted infrared spectra for CO–H2 dimer and frequency shifts of CO in (para-H2)N N = 1–20 clusters. The Journal of Chemical Physics, 139 (16). 164315pp. doi:10.1063/1.4826595
Zhou, Yanzi, Xie, Daiqian, Zhang, Dong Hui (2006) A three-dimensional ab initio potential energy surface and predicted infrared spectra for the He–N2O complex. The Journal of Chemical Physics, 124 (14). 144317pp. doi:10.1063/1.2189227
Li, Hui, Blinov, Nicholas, Roy, Pierre-Nicholas, Le Roy, Robert J. (2009) Path-integral Monte Carlo simulation of ν3 vibrational shifts for CO2 in (He)n clusters critically tests the He–CO2 potential energy surface. The Journal of Chemical Physics, 130 (14). 144305pp. doi:10.1063/1.3109897
Ran, Hong, Xie, Daiqian (2008) A new potential energy surface and predicted infrared spectra of He–CO2: Dependence on the antisymmetric stretch of CO2. The Journal of Chemical Physics, 128 (12). 124323pp. doi:10.1063/1.2844786
Li, Hui, Hirano, Tsuneo, Amano, Takayoshi, Le Roy, Robert J. (2008) Pathways and reduced-dimension five-dimensional potential energy surface for the reactions H3++CO→H2+HCO+ and H3++CO→H2+HOC+. The Journal of Chemical Physics, 129 (24). 244306pp. doi:10.1063/1.3041494
Liu, Jing-Min, Zhai, Yu, Li, Hui (2017) Explicit correlation treatment of the six-dimensional potential energy surface and predicted infrared spectra for OCS–H2. The Journal of Chemical Physics, 147 (4). 44313pp. doi:10.1063/1.4996086
Li, Hui, Le Roy, Robert J., McCourt, Frederick R. W. (2009) Predicted bound states and microwave spectrum of N2–He van der Waals complexes. The Journal of Chemical Physics, 130 (24). 244503pp. doi:10.1063/1.3157776
Li, Hui, Le Roy, Robert J. (2007) Spectroscopic Properties of MgH2, MgD2, and MgHD Calculated from a New ab Initio Potential Energy Surface. The Journal of Physical Chemistry A, 111 (28). 6248-6255 doi:10.1021/jp072510m
Le Roy, Robert J., Haugen, Carl C., Tao, Jason, Li, Hui (2011) Long-range damping functions improve the short-range behaviour of ‘MLR’ potential energy functions. Molecular Physics, 109. 435-446 doi:10.1080/00268976.2010.527304
Wei, Hua, Le Roy, Robert J., Wheatley, Richard, Meath, William J. (2005) A reliable new three-dimensional potential energy surface for H2–Kr. The Journal of Chemical Physics, 122 (8). 84321pp. doi:10.1063/1.1850462
 
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