 | 2011 |
| 30 |  | Norman L. Allinger:
Understanding molecular structure from molecular mechanics.
Journal of Computer-Aided Molecular Design 25(4): 295-316 (2011) |
| 2007 |
| 29 |  | 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 |
| 28 |  | 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) |
| 27 |  | 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) |
| 26 |  | 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) |
| 25 |  | 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) |
| 24 |  | 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) |
| 23 |  | 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 |
| 22 |  | 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) |
| 21 |  | 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) |
| 20 |  | 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) |
| 19 |  | 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) |
| 18 |  | Gernot Frenking,
Norman L. Allinger:
Editors' preface.
Journal of Computational Chemistry 22(13): 7-8 (2001) |
| 2000 |
| 17 |  | 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) |
| 16 |  | Norman L. Allinger,
Kathleen A. Durkin:
Van der Waals effects between hydrogen and first-row atoms in molecular mechanics (MM3/MM4).
Journal of Computational Chemistry 21(14): 1229-1242 (2000) |
| 1999 |
| 15 |  | 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 |
| 14 |  | Jan Labanowski,
Lawrence Schmitz,
Kuo-Hsiang Chen,
Norman L. Allinger:
Heats of formation of organic molecules calculated by density functional theory: II. Alkanes.
Journal of Computational Chemistry 19(12): 1421-1430 (1998) |
| 13 |  | Julia C. Tai,
Norman L. Allinger:
Effect of inclusion of electron correlation in MM3 studies of cyclic conjugated compounds.
Journal of Computational Chemistry 19(5): 475-487 (1998) |
| 12 |  | Jenn-Huei Lii,
Norman L. Allinger:
Directional hydrogen bonding in the MM3 force field: II.
Journal of Computational Chemistry 19(9): 1001-1016 (1998) |
| 1996 |
| 11 |  | 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) |
| 10 |  | Neysa Nevins,
Kuo-Hsiang Chen,
Norman L. Allinger:
Molecular mechanics (MM4) calculations on alkenes.
Journal of Computational Chemistry 17(5-6): 669-694 (1996) |
| 9 |  | 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) |
| 8 |  | Neysa Nevins,
Norman L. Allinger:
Molecular mechanics (MM4) vibrational frequency calculations for alkenes and conjugated hydrocarbons.
Journal of Computational Chemistry 17(5-6): 730-746 (1996) |
| 7 |  | Norman L. Allinger,
Kuo-Hsiang Chen,
J. A. Katzenellenbogen,
Scott R. Wilson,
Gregory M. Anstead:
Hyperconjugative effects on carbon - Carbon bond lengths in molecular mechanics (MM4).
Journal of Computational Chemistry 17(5-6): 747-755 (1996) |
| 6 |  | John R. Kneisler,
Norman L. Allinger:
Ab initio and density functional theory study of structures and energies for dimethoxymethane as a model for the anomeric effect.
Journal of Computational Chemistry 17(7): 757-766 (1996) |
| 1994 |
| 5 |  | Norman L. Allinger,
Liqun Yan,
Kuo-Hsiang Chen:
Molecular Mechanics Calculations (MM2 and MM3) on Enamines and Aniline Derivatives.
Journal of Computational Chemistry 15(12): 1321-1330 (1994) |
| 4 |  | Yi Fan,
Norman L. Allinger:
Molecular Mechanics (MM3) Calculations on Azoxy Compounds.
Journal of Computational Chemistry 15(12): 1446-1462 (1994) |
| 3 |  | Norman L. Allinger,
Yi Fan:
Force Field Calculations (MM3) on Glyoxal, Quinones, and Related Compounds.
Journal of Computational Chemistry 15(3): 251-268 (1994) |
| 2 |  | Ruifeng Liu,
Norman L. Allinger:
Molecular Mechanics (MM3) Calculations on Alkyl Radicals.
Journal of Computational Chemistry 15(3): 283-299 (1994) |
| 1 |  | Fanbing Li,
Weili Cui,
Norman L. Allinger:
Expanding Molecular Dynamics Simulations to the NMR Time Scale. I. Studies of Conformational Interconversions of 1, 1-Difluoro-4.4-Dimethylcycloheptane Using MM3-MD.
Journal of Computational Chemistry 15(7): 769-781 (1994) |