An improved force field (MM4) for saturated hydrocarbons. - Norman L. Allinger; Kuo-Hsiang Chen; Jenn-Huei Lii (J. Comput. Chem., 1996)

Molecular mechanics (MM4) calculations on conjugated hydrocarbons. - Neysa Nevins; Jenn-Huei Lii; Norman L. Allinger (J. Comput. Chem., 1996)

MM3(96) parameterization for camptothecin analogs: An ab initio and molecular mechanics study. - Sean W. Carrigan; Jenn-Huei Lii; J. Phillip Bowen (J. Comput. Aided Mol. Des., 1997)

Directional hydrogen bonding in the MM3 force field: II. - Jenn-Huei Lii; Norman L. Allinger (J. Comput. Chem., 1998)

Importance of selecting proper basis set in quantum mechanical studies of potential energy surfaces of carbohydrates. - Jenn-Huei Lii; Buyong Ma; Norman L. Allinger (J. Comput. Chem., 1999)

Molecular polarizabilities and induced dipole moments in molecular mechanics. - Buyong Ma; Jenn-Huei Lii; Norman L. Allinger (J. Comput. Chem., 2000)

Molecular mechanics (MM4) calculations on carbonyl compounds part I: aldehydes. - Charles H. Langley; Jenn-Huei Lii; Norman L. Allinger (J. Comput. Chem., 2001)

Molecular mechanics calculations on carbonyl compounds. II. Open-chain ketones. - Charles H. Langley; Jenn-Huei Lii; Norman L. Allinger (J. Comput. Chem., 2001)

Molecular mechanics calculations on carbonyl compounds. III. Cycloketones. - Charles H. Langley; Jenn-Huei Lii; Norman L. Allinger (J. Comput. Chem., 2001)

Molecular mechanics calculations on carbonyl compounds. IV. Heats of formation. - Charles H. Langley; Jenn-Huei Lii; Norman L. Allinger (J. Comput. Chem., 2001)

Alcohols, ethers, carbohydrates, and related compounds. I. The MM4 force field for simple compounds. - Norman L. Allinger; Kuo-Hsiang Chen; Jenn-Huei Lii; Kathleen A. Durkin (J. Comput. Chem., 2003)

Molecular mechanics (MM4) calculations on carbonyl compounds. I-IV - Erratum. - Charles H. Langley; Jenn-Huei Lii; Norman L. Allinger (J. Comput. Chem., 2003)

Alcohols, ethers, carbohydrates, and related compounds. IV. carbohydrates. - Jenn-Huei Lii; Kuo-Hsiang Chen; Norman L. Allinger (J. Comput. Chem., 2003)

Alcohols, ethers, carbohydrates, and related compounds. II. The anomeric effect. - Jenn-Huei Lii; Kuo-Hsiang Chen; Kathleen A. Durkin; Norman L. Allinger (J. Comput. Chem., 2003)

Alcohols, ethers, carbohydrates, and related compounds. III. The 1, 2-dimethoxyethane system. - Jenn-Huei Lii; Kuo-Hsiang Chen; T. Bruce Grindley; Norman L. Allinger (J. Comput. Chem., 2003)

Molecular mechanics (MM3) calculations on lithium amide compounds. - Takashi Yoshida; Kazuhisa Sakakibara; Masatoshi Asami; Kuo-Hsiang Chen; Jenn-Huei Lii; Norman L. Allinger (J. Comput. Chem., 2003)

Molecular mechanics (MM4) study of amines. - Kuo-Hsiang Chen; Jenn-Huei Lii; Yi Fan; Norman L. Allinger (J. Comput. Chem., 2007)

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 mimetics. - Francesco Strino; Jenn-Huei Lii; Hans-Joachim Gabius; Per-Georg Nyholm (J. Comput. Aided Mol. Des., 2009)

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 bioactivity. - Francesco Strino; Jenn-Huei Lii; Chaitanya A. K. Koppisetty; Per-Georg Nyholm; Hans-Joachim Gabius (J. Comput. Aided Mol. Des., 2010)

Accurate prediction of the enthalpies of formation for xanthophylls. - Jenn-Huei Lii; Fu-Xing Liao; Ching-Han Hu (J. Comput. Chem., 2011)

An improved theoretical approach to the empirical corrections of density functional theory. - Jenn-Huei Lii; Ching-Han Hu (J. Comput. Aided Mol. Des., 2012)

Catenanes: A molecular mechanics analysis of the (C13H26)2 Structure 13-13 D2. - Jenn-Huei Lii; Norman L. Allinger; Ching-Han Hu; Henry F. Schaefer III (J. Comput. Chem., 2016)

Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory. - Ioannis Stylianakis; Nikolaos Zervos; Jenn-Huei Lii; Dimitrios A. Pantazis; Antonios Kolocouris (J. Comput. Aided Mol. Des., 2023)

Correction to: Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory. - Ioannis Stylianakis; Nikolaos Zervos; Jenn-Huei Lii; Dimitrios A. Pantazis; Antonios Kolocouris (J. Comput. Aided Mol. Des., 2023)