 | 2012 |
| 21 |  | Jenn-Huei Lii,
Ching-Han Hu:
An improved theoretical approach to the empirical corrections of density functional theory.
Journal of Computer-Aided Molecular Design 26(2): 199-213 (2012) |
| 2011 |
| 20 |  | Jenn-Huei Lii,
Fu-Xing Liao,
Ching-Han Hu:
Accurate prediction of the enthalpies of formation for xanthophylls.
Journal of Computational Chemistry 32(15): 3175-3187 (2011) |
| 2010 |
| 19 |  | Francesco Strino,
Jenn-Huei Lii,
Chaitanya A. K. Koppisetty,
Per-Georg Nyholm,
Hans-Joachim Gabius:
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.
Journal of Computer-Aided Molecular Design 24(12): 1009-1021 (2010) |
| 2009 |
| 18 |  | Francesco Strino,
Jenn-Huei Lii,
Hans-Joachim Gabius,
Per-Georg Nyholm:
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.
Journal of Computer-Aided Molecular Design 23(12): 845-852 (2009) |
| 2007 |
| 17 |  | Kuo-Hsiang Chen,
Jenn-Huei Lii,
Yi Fan,
Norman L. Allinger:
Molecular mechanics (MM4) study of amines.
Journal of Computational Chemistry 28(15): 2391-2412 (2007) |
| 2003 |
| 16 |  | Charles H. Langley,
Jenn-Huei Lii,
Norman L. Allinger:
Molecular mechanics (MM4) calculations on carbonyl compounds. I-IV - Erratum.
Journal of Computational Chemistry 24(10): 1283-1286 (2003) |
| 15 |  | Norman L. Allinger,
Kuo-Hsiang Chen,
Jenn-Huei Lii,
Kathleen A. Durkin:
Alcohols, ethers, carbohydrates, and related compounds. I. The MM4 force field for simple compounds.
Journal of Computational Chemistry 24(12): 1447-1472 (2003) |
| 14 |  | Jenn-Huei Lii,
Kuo-Hsiang Chen,
Kathleen A. Durkin,
Norman L. Allinger:
Alcohols, ethers, carbohydrates, and related compounds. II. The anomeric effect.
Journal of Computational Chemistry 24(12): 1473-1489 (2003) |
| 13 |  | Jenn-Huei Lii,
Kuo-Hsiang Chen,
T. Bruce Grindley,
Norman L. Allinger:
Alcohols, ethers, carbohydrates, and related compounds. III. The 1, 2-dimethoxyethane system.
Journal of Computational Chemistry 24(12): 1490-1503 (2003) |
| 12 |  | Jenn-Huei Lii,
Kuo-Hsiang Chen,
Norman L. Allinger:
Alcohols, ethers, carbohydrates, and related compounds. IV. carbohydrates.
Journal of Computational Chemistry 24(12): 1504-1513 (2003) |
| 11 |  | Takashi Yoshida,
Kazuhisa Sakakibara,
Masatoshi Asami,
Kuo-Hsiang Chen,
Jenn-Huei Lii,
Norman L. Allinger:
Molecular mechanics (MM3) calculations on lithium amide compounds.
Journal of Computational Chemistry 24(3): 319-327 (2003) |
| 2001 |
| 10 |  | Charles H. Langley,
Jenn-Huei Lii,
Norman L. Allinger:
Molecular mechanics (MM4) calculations on carbonyl compounds part I: aldehydes.
Journal of Computational Chemistry 22(13): 1396-1425 (2001) |
| 9 |  | Charles H. Langley,
Jenn-Huei Lii,
Norman L. Allinger:
Molecular mechanics calculations on carbonyl compounds. II. Open-chain ketones.
Journal of Computational Chemistry 22(13): 1426-1450 (2001) |
| 8 |  | Charles H. Langley,
Jenn-Huei Lii,
Norman L. Allinger:
Molecular mechanics calculations on carbonyl compounds. III. Cycloketones.
Journal of Computational Chemistry 22(13): 1451-1475 (2001) |
| 7 |  | Charles H. Langley,
Jenn-Huei Lii,
Norman L. Allinger:
Molecular mechanics calculations on carbonyl compounds. IV. Heats of formation.
Journal of Computational Chemistry 22(13): 1476-1483 (2001) |
| 2000 |
| 6 |  | Buyong Ma,
Jenn-Huei Lii,
Norman L. Allinger:
Molecular polarizabilities and induced dipole moments in molecular mechanics.
Journal of Computational Chemistry 21(10): 813-825 (2000) |
| 1999 |
| 5 |  | Jenn-Huei Lii,
Buyong Ma,
Norman L. Allinger:
Importance of selecting proper basis set in quantum mechanical studies of potential energy surfaces of carbohydrates.
Journal of Computational Chemistry 20(15): 1593-1603 (1999) |
| 1998 |
| 4 |  | Jenn-Huei Lii,
Norman L. Allinger:
Directional hydrogen bonding in the MM3 force field: II.
Journal of Computational Chemistry 19(9): 1001-1016 (1998) |
| 1997 |
| 3 |  | Sean W. Carrigan,
Jenn-Huei Lii,
J. Phillip Bowen:
MM3(96) parameterization for camptothecin analogs: An ab initio and molecular mechanics study.
Journal of Computer-Aided Molecular Design 11(1): 61-70 (1997) |
| 1996 |
| 2 |  | Norman L. Allinger,
Kuo-Hsiang Chen,
Jenn-Huei Lii:
An improved force field (MM4) for saturated hydrocarbons.
Journal of Computational Chemistry 17(5-6): 642-668 (1996) |
| 1 |  | Neysa Nevins,
Jenn-Huei Lii,
Norman L. Allinger:
Molecular mechanics (MM4) calculations on conjugated hydrocarbons.
Journal of Computational Chemistry 17(5-6): 695-729 (1996) |