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Jenn-Huei Lii
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2020 – today
- 2023
- [j24]Ioannis Stylianakis, Nikolaos Zervos, Jenn-Huei Lii, Dimitrios A. Pantazis
, Antonios Kolocouris
Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory. J. Comput. Aided Mol. Des. 37(12): 607-656 (2023) - [j23]Ioannis Stylianakis, Nikolaos Zervos, Jenn-Huei Lii, Dimitrios A. Pantazis, Antonios Kolocouris:
Correction to: Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory. J. Comput. Aided Mol. Des. 37(12): 657 (2023)
2010 – 2019
- 2016
- [j22]Jenn-Huei Lii, Norman L. Allinger, Ching-Han Hu, Henry F. Schaefer III:
Catenanes: A molecular mechanics analysis of the (C13H26)2 Structure 13-13 D2. J. Comput. Chem. 37(1): 124-129 (2016) - 2012
- [j21]Jenn-Huei Lii, Ching-Han Hu:
An improved theoretical approach to the empirical corrections of density functional theory. J. Comput. Aided Mol. Des. 26(2): 199-213 (2012) - 2011
- [j20]Jenn-Huei Lii, Fu-Xing Liao, Ching-Han Hu:
Accurate prediction of the enthalpies of formation for xanthophylls. J. Comput. Chem. 32(15): 3175-3187 (2011) - 2010
- [j19]Francesco Strino
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. J. Comput. Aided Mol. Des. 24(12): 1009-1021 (2010)
2000 – 2009
- 2009
- [j18]Francesco Strino
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. J. Comput. Aided Mol. Des. 23(12): 845-852 (2009) - 2007
- [j17]Kuo-Hsiang Chen, Jenn-Huei Lii, Yi Fan, Norman L. Allinger:
Molecular mechanics (MM4) study of amines. J. Comput. Chem. 28(15): 2391-2412 (2007) - 2003
- [j16]Takashi Yoshida, Kazuhisa Sakakibara, Masatoshi Asami
Molecular mechanics (MM3) calculations on lithium amide compounds. J. Comput. Chem. 24(3): 319-327 (2003) - [j15]Charles H. Langley, Jenn-Huei Lii, Norman L. Allinger:
Molecular mechanics (MM4) calculations on carbonyl compounds. I-IV - Erratum. J. Comput. Chem. 24(10): 1283-1286 (2003) - [j14]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. J. Comput. Chem. 24(12): 1447-1472 (2003) - [j13]Jenn-Huei Lii, Kuo-Hsiang Chen, Kathleen A. Durkin
Alcohols, ethers, carbohydrates, and related compounds. II. The anomeric effect. J. Comput. Chem. 24(12): 1473-1489 (2003) - [j12]Jenn-Huei Lii, Kuo-Hsiang Chen, T. Bruce Grindley, Norman L. Allinger:
Alcohols, ethers, carbohydrates, and related compounds. III. The 1, 2-dimethoxyethane system. J. Comput. Chem. 24(12): 1490-1503 (2003) - [j11]Jenn-Huei Lii, Kuo-Hsiang Chen, Norman L. Allinger:
Alcohols, ethers, carbohydrates, and related compounds. IV. carbohydrates. J. Comput. Chem. 24(12): 1504-1513 (2003) - 2001
- [j10]Charles H. Langley, Jenn-Huei Lii, Norman L. Allinger:
Molecular mechanics (MM4) calculations on carbonyl compounds part I: aldehydes. J. Comput. Chem. 22(13): 1396-1425 (2001) - [j9]Charles H. Langley, Jenn-Huei Lii, Norman L. Allinger:
Molecular mechanics calculations on carbonyl compounds. II. Open-chain ketones. J. Comput. Chem. 22(13): 1426-1450 (2001) - [j8]Charles H. Langley, Jenn-Huei Lii, Norman L. Allinger:
Molecular mechanics calculations on carbonyl compounds. III. Cycloketones. J. Comput. Chem. 22(13): 1451-1475 (2001) - [j7]Charles H. Langley, Jenn-Huei Lii, Norman L. Allinger:
Molecular mechanics calculations on carbonyl compounds. IV. Heats of formation. J. Comput. Chem. 22(13): 1476-1483 (2001) - 2000
- [j6]Buyong Ma, Jenn-Huei Lii, Norman L. Allinger:
Molecular polarizabilities and induced dipole moments in molecular mechanics. J. Comput. Chem. 21(10): 813-825 (2000)
1990 – 1999
- 1999
- [j5]Jenn-Huei Lii, Buyong Ma, Norman L. Allinger:
Importance of selecting proper basis set in quantum mechanical studies of potential energy surfaces of carbohydrates. J. Comput. Chem. 20(15): 1593-1603 (1999) - 1998
- [j4]Jenn-Huei Lii, Norman L. Allinger:
Directional hydrogen bonding in the MM3 force field: II. J. Comput. Chem. 19(9): 1001-1016 (1998) - 1997
- [j3]Sean W. Carrigan, Jenn-Huei Lii, J. Phillip Bowen:
MM3(96) parameterization for camptothecin analogs: An ab initio and molecular mechanics study. J. Comput. Aided Mol. Des. 11(1): 61-70 (1997) - 1996
- [j2]Norman L. Allinger, Kuo-Hsiang Chen, Jenn-Huei Lii:
An improved force field (MM4) for saturated hydrocarbons. J. Comput. Chem. 17(5-6): 642-668 (1996) - [j1]Neysa Nevins, Jenn-Huei Lii, Norman L. Allinger:
Molecular mechanics (MM4) calculations on conjugated hydrocarbons. J. Comput. Chem. 17(5-6): 695-729 (1996)
Coauthor Index
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