Dr. Jenn-Huei Lii

Dr. Jenn-Huei Lii (Robert)

Associate Research Scientist

CCMSD, Department of Chemistry
Chemistry Annex, Room 407
University of Georgia
Athens, Georgia 30602 USA

Tel: (706)542-2044
Fax: (706)542-2673
Email : robert@europa.chem.uga.edu

[ For More Information on Dr. Jenn-Huei Lii ]
Dr. Jenn-Huei Lii was born in Taiwan in 1952. He graduated from the Chemistry Department of Soochow University, Taipei, Taiwan in 1975 and obtained his M.S. Degree in Organic Chemistry from the National Tsing Hua University, Hsinchu, Taiwan in 1977. After two years mandatory military service in ROC Navy, he became a research fellow at the Radiochemistry Research Center of National Tsing Hua University. Under the direction of Professor Norman L. Allinger, he received his Ph. D. Degree in Organic Chemistry from the University of Georgia in 1987. The title of his dissertation is "Molecular Mechanics Study of Crystal Packing and Normal Vibrations of Hydrocarbon Molecules". After his graduation, he began working as postdoctoral associate in Prof. Allinger's research group. Since 1994, he became an Associate Research Scientist working at the Computational Center for Molecular Structure and Design (CCMSD, director Dr. N. L. Allinger). With his educational background and knowledge of computer software programming, he becomes an expert in the molecular modeling software programming. His main accomplishments in the field are,

has written a Full-Matrix Newton-Raphson minimization procedure and normal mode vibrational analysis subprogram for the molecular mechanics program MM3 and MM4.
has written a crystal packing simulation program CRSTL using MM3/MM4 force field.
has written a molecular structure editing/display program MEDIT as a front end of MM3, MM4 and CRSTL programs.

His representative papers are,

Allinger, N.L., Y.H. Yuh, and J.-H. Lii. 1989. Molecular Mechanics. The MM3 Force Field for Hydrocarbons. 1. J. Amer. Chem. Soc. 111: 8551. [ Abstract ]
Lii, J.-H., and N.L. Allinger. 1989. Molecular Mechanics. The MM3 Forcei Field for Hydrocarbons. 2. Vibrational Frequencies and Thermodynamics. J. Amer. Chem. Soc. 111:8566. [ Abstract ]
Lii, J.-H., and N.L. Allinger. 1989. Molecular Mechanics. The MM3 Force Field for Hydrocarbons. 3. The Van der Waals' Potentials and Crystal Data for Aliphatic and Aromatic Hydrocarbons. J. Amer. Chem. Soc. 111:8576. [ Abstract ]
Lii, J.-H., and N.L. Allinger, 1991. The MM3 Force Field for Amides, Polypeptides and Proteins. J. Comput. Chem. 12:186. [ Abstract ]
Lii, J.-H., and N.L. Allinger. 1992. Intensities of Infrared Bands in Molecular Mechanics (MM3). J. Comput. Chem. 13:1138. [ Abstract ]
Lii, J.-H., and N.L. Allinger. 1994. Directional Hydrogen Bonding in the MM3 Force Field, I., J. Phys. Org. Chem., 7:591. [ Abstract ]
Timofeeva, Tatjana V., Lii, J.-H. and Allinger, N. L. 1995. Molecular Mechanics Explanation of the Metallocene Bent Sandwich Structure. J. Amer. Chem. Soc., 117:7452. [ Abstract ]
Lii, J.-H. Hydrogen Bonding: 2, in The Encyclopedia of Computational Chemistry, Schleyer, P. v. R.; Allinger, N. L.; Clark, T.; Gasteiger, J.; Kollman, P. A.; Schaefer III, H. F.; Schreiner, P. R., Eds.; John Wiley & Sons: Chichester, 1998, p 1271.