主要SCI文章(*: 通讯作者):
[23] Qi Liu and Yun Liu*(2016) Clumped isotope signatures at equilibrium of CH4, NH3,H2O, H2S and SO2.Geochimica et Cosmochimica Acta. (doi:10.1016/j.gca.2015.11.040).
[22] Sha Yang and Yun Liu* (2015) Nuclear volume effects in equilibrium stable isotope fractionations of mercury, thallium and lead.Scientific Reports. 5,12626; doi:10.1038/srep12626
[21] Dan Zhu*, HuimingBao and Yun Liu (2015) Non-traditional stable isotopebehaviors in immiscible silica-meltsin a mafic magma chamber.Scientific Reports.5,17561; doi:10.1038/srep17561
[20] FeiWu*,TianQin, XuefangLi, YunLiu, Jen-HowHuang, ZhongqingWu and FangHuang (2015) First-principles investigation of vanadium isotope fractionation in solution and during adsorption. Earth and Planetary Science Letters. 426, 216-224.
[19] Xuefang Li and Yun Liu*(2015) A theoretical model of isotopic fractionation by thermal diffusion and its implementation on silicate melts.Geochimica et Cosmochimica Acta. 154, 18-27.
[18] Siting Zhang and Yun Liu*(2014) Molecular-level mechanisms of quartz dissolution under neutral and alkaline conditions in the presence of electrolytes. Geochemical Journal.48, 189-205.
[17] Xiaobin Cao and Yun Liu*(2012)Theoretical estimation of the equilibrium distribution ofclumped isotopes in nature.Geochimica et Cosmochimica Acta. 77, 292-303.
[16] Xuefang Li and Yun Liu* (2011) Equilibrium Se isotope fractionation parameters: A first-principles study. Earth and Planetary Science Letters, 304, 113-120.
[15] Xiaobin Cao and Yun Liu*(2011)Equilibrium mass-dependent fractionation relationships for triple oxygen isotopes.GeochimicaetCosmochimicaActa, 75, 7435-7445.
[14] Liu Q., Tossell J. A. and Liu, Y.*(2010) On the proper use of the Bigeleisen-Mayer equation and corrections to it in the calculation of isotopic fractionation equilibrium constants. GeochimicaetCosmochimicaActa, 74, 6965-6983.
[13] Li, X.F. and Liu, Y.* (2010) First-principles study of Ge isotope fractionation during adsorption onto Fe(III)-oxyhydroxides surfaces. Chemical Geology, 278, 15-22.
[12] Li, X.F., Zhao, H., Tang, M. andLiu, Y.* (2009) Theoretical prediction for several important equilibrium Ge isotope fractionationfactors and the geological implication. Earth and Planetary Science Letters, 287, 1-11.
[11] Peng, L.M., Huo, H., Liu, Y. and Grey, C.P. (2007) 17O Magic angle spinning NMR studies of Bronsted acid sites in zeolites HY and HZSM-5.Journal of the American Chemical Society, 129,335-346.
[10] Liu, Y., Olsen, A. A. and Rimstidt, J. D. (2006) Mechanism for the dissolution of olivine series minerals in acidic solutions. American Mineralogist, 91, 455-458.
[9]Liu, Y. and Tossell, J.A. (2005) Ab initio molecular orbital calculations for boron isotope fractionations on boric acids and borates. GeochimicaetCosmochimicaActa, 69, 3995-4006.
[8] Liu, Y., Nekvasil, H. and Tossell, J.A. (2005) Explaining the effects of T-O-T bond angles on NMR chemical shifts in aluminosilicates: A natural bonding orbital (NBO) analysis. Journal of Physical Chemistry A. 109, 3060-3066.
[7]Peng, L.M., Liu, Y., Kim, N.J., Readman, J.E. and Grey, C.P. (2005) Detection of Bronsted acid site in zeolite HY with high field 17O MAS NMR techniques. Nature Materials, 4, 216-219.
[6]Tossell, J. A. and Liu, Y. (2004) Calculation of 19F and 27Al NMR parameters for rosenbergite, AlF[F0.5(H2O)0.5]4?H2O, a possible model for Al hydroxyl fluorides in solution. Magnetic Resonance in Chemistry, 42, S1, pS34-S40.
[5]Liu, Y., Tossell, J. A. and Nekvasil, H. (2004)A theoretical study of structural factors correlated with 23Na NMR parameters. American Mineralogist, 89,1314-1322.
[4]Liu, Y. and Tossell, J. (2003) The possible Al-F bonding in F-bearing aluminosilicate glasses: from ab initio19F NMR calculation study. Journal of Physical Chemistry B.107,11280-11289.
[3]Liu, Y. Long, H. B. and Nekvasil, H. (2002)Water dissolution in albite melts: constraints from ab initio NMR calculations. GeochimicaetCosmochimicaActa, 66, 4149-4163.
[2]Liu, Y. and Nekvasil, H. (2002) Si-F bonding in aluminosilicate glasses - inferences from ab initio NMR calculations. American Mineralogist 87, 339-346.
[1] Liu, Y. and Nekvasil, H. (2001) Ab initio studies of possible fluorine-bearing four- and five- coordinated Al species in aluminosilicate glasses. American Mineralogist 86, 491-497.