Norman L. Allinger - researchr alias

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Viewing Publication 1 - 34 from 34

2016

2 Structure 13-13 D2Jenn-Huei Lii, Norman L. Allinger, Ching-Han Hu, Henry F. Schaefer III. jcc, 37(1):124-129, 2016. [doi]

2011

Understanding molecular structure from molecular mechanicsNorman L. Allinger. jcamd, 25(4):295-316, 2011. [doi]

2007

Molecular mechanics (MM4) study of aminesKuo-Hsiang Chen, Jenn-Huei Lii, Yi Fan, Norman L. Allinger. jcc, 28(15):2391-2412, 2007. [doi]

2003

Alcohols, ethers, carbohydrates, and related compounds. I. The MM4 force field for simple compoundsNorman L. Allinger, Kuo-Hsiang Chen, Jenn-Huei Lii, Kathleen A. Durkin. jcc, 24(12):1447-1472, 2003. [doi]

Molecular mechanics (MM4) calculations on carbonyl compounds. I-IV - ErratumCharles H. Langley, Jenn-Huei Lii, Norman L. Allinger. jcc, 24(10):1283-1286, 2003. [doi]

Alcohols, ethers, carbohydrates, and related compounds. III. The 1, 2-dimethoxyethane systemJenn-Huei Lii, Kuo-Hsiang Chen, T. Bruce Grindley, Norman L. Allinger. jcc, 24(12):1490-1503, 2003. [doi]

Alcohols, ethers, carbohydrates, and related compounds. IV. carbohydratesJenn-Huei Lii, Kuo-Hsiang Chen, Norman L. Allinger. jcc, 24(12):1504-1513, 2003. [doi]

Alcohols, ethers, carbohydrates, and related compounds. II. The anomeric effectJenn-Huei Lii, Kuo-Hsiang Chen, Kathleen A. Durkin, Norman L. Allinger. jcc, 24(12):1473-1489, 2003. [doi]

Molecular mechanics (MM3) calculations on lithium amide compoundsTakashi Yoshida, Kazuhisa Sakakibara, Masatoshi Asami, Kuo-Hsiang Chen, Jenn-Huei Lii, Norman L. Allinger. jcc, 24(3):319-327, 2003. [doi]

2001

Editors prefaceGernot Frenking, Norman L. Allinger. jcc, 22(13):7-8, 2001. [doi]

Molecular mechanics calculations on carbonyl compounds. II. Open-chain ketonesCharles H. Langley, Jenn-Huei Lii, Norman L. Allinger. jcc, 22(13):1426-1450, 2001. [doi]

Molecular mechanics calculations on carbonyl compounds. III. CycloketonesCharles H. Langley, Jenn-Huei Lii, Norman L. Allinger. jcc, 22(13):1451-1475, 2001. [doi]

Molecular mechanics calculations on carbonyl compounds. IV. Heats of formationCharles H. Langley, Jenn-Huei Lii, Norman L. Allinger. jcc, 22(13):1476-1483, 2001. [doi]

Molecular mechanics (MM4) calculations on carbonyl compounds part I: aldehydesCharles H. Langley, Jenn-Huei Lii, Norman L. Allinger. jcc, 22(13):1396-1425, 2001. [doi]

2000

Van der Waals effects between hydrogen and first-row atoms in molecular mechanics (MM3/MM4)Norman L. Allinger, Kathleen A. Durkin. jcc, 21(14):1229-1242, 2000. [doi]

Molecular polarizabilities and induced dipole moments in molecular mechanicsBuyong Ma, Jenn-Huei Lii, Norman L. Allinger. jcc, 21(10):813-825, 2000. [doi]

1999

Importance of selecting proper basis set in quantum mechanical studies of potential energy surfaces of carbohydratesJenn-Huei Lii, Buyong Ma, Norman L. Allinger. jcc, 20(15):1593-1603, 1999. [doi]

1998

Heats of formation of organic molecules calculated by density functional theory: II. AlkanesJan Labanowski, Lawrence Schmitz, Kuo-Hsiang Chen, Norman L. Allinger. jcc, 19(12):1421-1430, 1998. [doi]

Directional hydrogen bonding in the MM3 force field: IIJenn-Huei Lii, Norman L. Allinger. jcc, 19(9):1001-1016, 1998. [doi]

Effect of inclusion of electron correlation in MM3 studies of cyclic conjugated compoundsJulia C. Tai, Norman L. Allinger. jcc, 19(5):475-487, 1998. [doi]

1996

Hyperconjugative effects on carbon - Carbon bond lengths in molecular mechanics (MM4)Norman L. Allinger, Kuo-Hsiang Chen, J. A. Katzenellenbogen, Scott R. Wilson, Gregory M. Anstead. jcc, 17(5-6):747-755, 1996. [doi]

An improved force field (MM4) for saturated hydrocarbonsNorman L. Allinger, Kuo-Hsiang Chen, Jenn-Huei Lii. jcc, 17(5-6):642-668, 1996. [doi]

Ab initio and density functional theory study of structures and energies for dimethoxymethane as a model for the anomeric effectJohn R. Kneisler, Norman L. Allinger. jcc, 17(7):757-766, 1996. [doi]

Molecular mechanics (MM4) calculations on alkenesNeysa Nevins, Kuo-Hsiang Chen, Norman L. Allinger. jcc, 17(5-6):669-694, 1996. [doi]

Molecular mechanics (MM4) vibrational frequency calculations for alkenes and conjugated hydrocarbonsNeysa Nevins, Norman L. Allinger. jcc, 17(5-6):730-746, 1996. [doi]

Molecular mechanics (MM4) calculations on conjugated hydrocarbonsNeysa Nevins, Jenn-Huei Lii, Norman L. Allinger. jcc, 17(5-6):695-729, 1996. [doi]

1994

1993

EditorialNorman L. Allinger, Paul von Ragué Schleyer. jcc, 14(1):1, 1993. [doi]

Molecular mechanics calculations (MM3) on sulfonesNorman L. Allinger, Yi Fan. jcc, 14(6):655-666, 1993. [doi]

A molecular mechanics study of alkyl peroxidesKuo-Hsiang Chen, Norman L. Allinger. jcc, 14(7):755-768, 1993. [doi]

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