Jenn-Huei Lii

According to our database, Jenn-Huei Lii authored at least 24 papers between 1996 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

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., December, 2023

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., December, 2023

2016

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

2012

An improved theoretical approach to the empirical corrections of density functional theory.

Jenn-Huei Lii, Ching-Han Hu

J. Comput. Aided Mol. Des., 2012

2011

Accurate prediction of the enthalpies of formation for xanthophylls.

Jenn-Huei Lii, Fu-Xing Liao, Ching-Han Hu

J. Comput. Chem., 2011

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 bioactivity.

Francesco Strino, Jenn-Huei Lii, Chaitanya A. K. Koppisetty, Per-Georg Nyholm, Hans-Joachim Gabius

J. Comput. Aided Mol. Des., 2010

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 mimetics.

Francesco Strino, Jenn-Huei Lii, Hans-Joachim Gabius, Per-Georg Nyholm

J. Comput. Aided Mol. Des., 2009

2007

Molecular mechanics (MM4) study of amines.

Kuo-Hsiang Chen, Jenn-Huei Lii, Yi Fan, Norman L. Allinger

J. Comput. Chem., 2007

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

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

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. IV. carbohydrates.

Jenn-Huei Lii, Kuo-Hsiang Chen, Norman L. Allinger

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. I. The MM4 force field for simple compounds.

Norman L. Allinger, Kuo-Hsiang Chen, Jenn-Huei Lii, Kathleen A. Durkin

J. Comput. Chem., 2003

2001

Molecular mechanics calculations on carbonyl compounds. IV. Heats of formation.

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. II. Open-chain ketones.

Charles H. Langley, Jenn-Huei Lii, Norman L. Allinger

J. Comput. Chem., 2001

Molecular mechanics (MM4) calculations on carbonyl compounds part I: aldehydes.

Charles H. Langley, Jenn-Huei Lii, Norman L. Allinger

J. Comput. Chem., 2001

2000

Molecular polarizabilities and induced dipole moments in molecular mechanics.

Buyong Ma, Jenn-Huei Lii, Norman L. Allinger

J. Comput. Chem., 2000

1999

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

1998

Directional hydrogen bonding in the MM3 force field: II.

Jenn-Huei Lii, Norman L. Allinger

J. Comput. Chem., 1998

1997

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

1996

Molecular mechanics (MM4) calculations on conjugated hydrocarbons.

Neysa Nevins, Jenn-Huei Lii, Norman L. Allinger

J. Comput. Chem., 1996

An improved force field (MM4) for saturated hydrocarbons.

Norman L. Allinger, Kuo-Hsiang Chen, Jenn-Huei Lii

J. Comput. Chem., 1996