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Norman L. Allinger

Veröffentlichungen von Norman L. Allinger zu Lii, Jenn Huei. ->
weitere Veröffentlichungen von Norman L. Allinger:
The torsional conformations of butane: Definitive energetics from ab initio methods (1997)
Molecular mechanics (MM3). Calculations of furan, vinyl ethers, and related compounds (1993)
Molecular mechanics (MM3) studies of carboxylic acids and esters (1992)
Heats of formation of organic molecules. 2. The basis for calculations using either ab initio or molecular mechanics methods. Alcohols and ethers (1992)
Molecular mechanics (MM3) calculations on aldehydes and ketones (1991)
A molecular mechanics force field (MM3) for alcohols and ethers (1990)
The syn rotational barrier in butane (1990)
Molecular mechanics. The MM3 force field for hydrocarbons. 1 (1989)
Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms (1977)
Conformational analysis. 126. The conformations and electronic spectra of small nonplanar polyenes (1977)
Conformational analysis. 125. The importance of twofold barriers in saturated molecules (1977)
Conformational analysis. CVIII. Calculation of the structures and energies of alkanethiols and thiaalkanes by the molecular mechanics method (1975)
Organic quantum chemistry. XXXIII. Electronic spectra and rotational barriers of vinylborane, allyl cation, and related compounds (1975)
Conformational analysis. CIV. Structures, energies, and electronic absorption spectra of the [n]paracyclophanes (1974)
Synthesis, structure, and properties of the [7]paracyclophane ring system (1974)
Veröffentlichungen zu Lii, Jenn Huei.
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1
Lii, Jenn Huei. Molecular mechanics. The MM3 force field for hydrocarbons. 3. The van der Waals' potentials and crystal data for aliphatic and aromatic hydrocarbons
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 111, No. 23 (1989), p. 8576-8582
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1989
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Lii, Jenn Huei. Molecular mechanics. The MM3 force field for hydrocarbons. 2. Vibrational frequencies and thermodynamics
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 111, No. 23 (1989), p. 8566-8575
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1989
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3
Allinger, Norman L.. A molecular mechanics force field (MM3) for alcohols and ethers
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 112, No. 23 (1990), p. 8293-8307
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1990
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4
Allinger, Norman L.., Lii, Jenn-Huei. Benzene, aromatic rings, van der Waals molecules, and crystals of aromatic molecules in molecular mechanics (MM3)
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 8 (8. 1987), p. 1146-1153
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1987
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5
Lii, Jenn-Huei., Allinger, Norman L.. The MM3 force field for amides, polypeptides and proteins
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 12 (2. 1991), p. 186-199
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1991
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6
Lii, Jenn-Huei., Allinger, Norman L.. Intensities of infrared bands in molecular mechanics (MM3)
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 13 (9. 1992), p. 1138-1141
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1992
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7
Lii, Jenn-Huei., Allinger, Norman L.. Directional hydrogen bonding in the MM3 force field: II
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 19 (9. 1998), p. 1001-1016
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1998
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8
Timofeeva, Tatjana V.. Molecular Mechanics Explanation of the Metallocene Bent Sandwich Structure
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 117, No. 28 (1995), p. 7452-7459
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1995
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9
Allinger, Norman L.. Molecular mechanics. The MM3 force field for hydrocarbons. 1
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 111, No. 23 (1989), p. 8551-8566
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1989
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10
Wikstroem, Hakaan. The dopaminergic moiety of the ergots. A controversial topic studied with molecular mechanics
In: Journal of medicinal chemistry. - Easton, Pa. : American Chemical Society, ISSN 1520-4804, Vol. 30, No. 10 (1987), p. 1928-1934
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1987
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11
Wikstrom, Hakan. Conformational analysis of 2-aminoindans and 2-(aminomethyl)indans in relation to their central dopaminergic effects and a dynamic dopamine receptor concept
In: Journal of medicinal chemistry. - Easton, Pa. : American Chemical Society, ISSN 1520-4804, Vol. 30, No. 7 (1987), p. 1115-1120
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1987
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12
Tai, Julia C.., Lii, Jenn-Huei., ... A molecular mechanics (MM2) study of Furan, Thiophene, and related compounds
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 10 (5. 1989), p. 635-647
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1989
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13
Nevins, Neysa., Lii, Jenn-Huei., ... Molecular mechanics (MM4) calculations on conjugated hydrocarbonsThis article includes Supplementary Material available from the authors upon request
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 17 (5-6. 1996), p. 695-729
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1996
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14
Allinger, Norman L.., Chen, Kuohsiang., ... An improved force field (MM4) for saturated hydrocarbonsThis article includes Supplementary Material available from the authors upon request
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 17 (5-6. 1996), p. 642-668
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1996
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15
Carrigan, Sean W., Lii, Jenn-Huei, ... MM3(96) parameterization for camptothecin analogs: An ab initio and molecular mechanics study
in: Journal of computer aided molecular design , ISSN 1573-4951, ZDB-ID 2008643X Vol. 11 (1. 1997), p. 61-70
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1997
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16
Goldstein, Elisheva., Ma, Buyong., ... Molecular mechanics calculations (MM3) on nitriles and alkynes
in: Journal of Physical Organic Chemistry, in: Journal of Physical Organic Chemistry . - Chichester : Wiley, ISSN 0894-3230, ZDB-ID 1475025-9 Vol. 9 (4. 1996), p. 191-202
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1996
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17
Shen, Mingzuo. Finite Td symmetry models for diamond: from adamantane to super-adamantane (C35H36)
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 114, No. 2 (1992), p. 497-505
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1992
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18
Lii, Jenn-Huei., Gallion, Steven., ... Molecular mechanics (MM2) calculations on peptides and on the protein Crambin using the CYBER 205
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 10 (4. 1989), p. 503-513
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1989