Jenn-Huei Lii - researchr alias

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2023

Correction to: Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theoryIoannis Stylianakis, Nikolaos Zervos, Jenn-Huei Lii, Dimitrios A. Pantazis, Antonios Kolocouris. jcamd, 37(12):657, December 2023. [doi]

Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theoryIoannis Stylianakis, Nikolaos Zervos, Jenn-Huei Lii, Dimitrios A. Pantazis, Antonios Kolocouris. jcamd, 37(12):607-656, December 2023. [doi]

2016

2 Structure 13-13 D2Jenn-Huei Lii, Norman L. Allinger, Ching-Han Hu, Henry F. Schaefer III. jcc, 37(1):124-129, 2016. [doi]

2012

An improved theoretical approach to the empirical corrections of density functional theoryJenn-Huei Lii, Ching-Han Hu. jcamd, 26(2):199-213, 2012. [doi]

2011

Accurate prediction of the enthalpies of formation for xanthophyllsJenn-Huei Lii, Fu-Xing Liao, Ching-Han Hu. jcc, 32(15):3175-3187, 2011. [doi]

2010

Selenoglycosides in silico: ab initio-derived reparameterization of MM4, conformational analysis using histo-blood group ABH antigens and lectin docking as indication for potential of bioactivityFrancesco Strino, Jenn-Huei Lii, Chaitanya A. K. Koppisetty, Per-Georg Nyholm, Hans-Joachim Gabius. jcamd, 24(12):1009-1021, 2010. [doi]

2009

Conformational analysis of thioglycoside derivatives of histo-blood group ABH antigens using an ab initio-derived reparameterization of MM4: implications for design of non-hydrolysable mimeticsFrancesco Strino, Jenn-Huei Lii, Hans-Joachim Gabius, Per-Georg Nyholm. jcamd, 23(12):845-852, 2009. [doi]

2007

Molecular mechanics (MM4) study of aminesKuo-Hsiang Chen, Jenn-Huei Lii, Yi Fan, Norman L. Allinger. jcc, 28(15):2391-2412, 2007. [doi]

2003

Alcohols, ethers, carbohydrates, and related compounds. I. The MM4 force field for simple compoundsNorman L. Allinger, Kuo-Hsiang Chen, Jenn-Huei Lii, Kathleen A. Durkin. jcc, 24(12):1447-1472, 2003. [doi]

Molecular mechanics (MM4) calculations on carbonyl compounds. I-IV - ErratumCharles H. Langley, Jenn-Huei Lii, Norman L. Allinger. jcc, 24(10):1283-1286, 2003. [doi]

Alcohols, ethers, carbohydrates, and related compounds. III. The 1, 2-dimethoxyethane systemJenn-Huei Lii, Kuo-Hsiang Chen, T. Bruce Grindley, Norman L. Allinger. jcc, 24(12):1490-1503, 2003. [doi]

Alcohols, ethers, carbohydrates, and related compounds. IV. carbohydratesJenn-Huei Lii, Kuo-Hsiang Chen, Norman L. Allinger. jcc, 24(12):1504-1513, 2003. [doi]

Alcohols, ethers, carbohydrates, and related compounds. II. The anomeric effectJenn-Huei Lii, Kuo-Hsiang Chen, Kathleen A. Durkin, Norman L. Allinger. jcc, 24(12):1473-1489, 2003. [doi]

Molecular mechanics (MM3) calculations on lithium amide compoundsTakashi Yoshida, Kazuhisa Sakakibara, Masatoshi Asami, Kuo-Hsiang Chen, Jenn-Huei Lii, Norman L. Allinger. jcc, 24(3):319-327, 2003. [doi]

2001

2000

Molecular polarizabilities and induced dipole moments in molecular mechanicsBuyong Ma, Jenn-Huei Lii, Norman L. Allinger. jcc, 21(10):813-825, 2000. [doi]

1999

Importance of selecting proper basis set in quantum mechanical studies of potential energy surfaces of carbohydratesJenn-Huei Lii, Buyong Ma, Norman L. Allinger. jcc, 20(15):1593-1603, 1999. [doi]

1998

Directional hydrogen bonding in the MM3 force field: IIJenn-Huei Lii, Norman L. Allinger. jcc, 19(9):1001-1016, 1998. [doi]

1997

MM3(96) parameterization for camptothecin analogs: An ab initio and molecular mechanics studySean W. Carrigan, Jenn-Huei Lii, J. Phillip Bowen. jcamd, 11(1):61-70, 1997. [doi]

1996

An improved force field (MM4) for saturated hydrocarbonsNorman L. Allinger, Kuo-Hsiang Chen, Jenn-Huei Lii. jcc, 17(5-6):642-668, 1996. [doi]

Molecular mechanics (MM4) calculations on conjugated hydrocarbonsNeysa Nevins, Jenn-Huei Lii, Norman L. Allinger. jcc, 17(5-6):695-729, 1996. [doi]

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