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Henry F. Schaefer

Veröffentlichungen von Henry F. Schaefer zu Schaefer, Henry F.. ->
weitere Veröffentlichungen von Henry F. Schaefer:
The 1,2 hydrogen shift: a common vehicle for the disappearance of evanescent molecular species (1979)
The fuzzy interface between surface chemistry, heterogeneous catalysis, and organometallic chemistry (1977)
The atomic fluorine + molecular hydrogen potential energy surface: the ecstasy and the agony (1985)
The silicon-carbon double bond: a healthy rivalry between theory and experiment (1982)
New theoretical evidence for the nonlinearity of the triplet ground state of methylene (1970)
Infrared spectrum of F.hivin..cntdot.H2O (1988)
Vibrational frequency shifts in hydrogen-bonded systems: the hydrogen fluoride dimer and trimer (1984)
Singlet-triplet energy separation, Walsh-Mulliken diagrams, and singlet d-polarization effects in methylene (1972)
Observed and calculated Raman spectra of the Ga2H6 and Ga2D6 molecules (1994)
Detailed Study of the Water Trimer Potential Energy Surface (1995)
The tetramethyl chalcogens (Me4S, Me4Se, Me4Te): bonding and structure (1994)
Singlet Methylcarbene: Equilibrium Geometry or Transition State? (1994)
SN2 reaction at neutral nitrogen: transition state geometries and intrinsic barriers. (1993)
Nitromethylene (H-C-NO2): a comparison of the lowest lying triplet and singlet states of a highly unconventional carbene (1993)
Theoretical characterization of the transition structure for an SN2 reaction at neutral nitrogen (1993)
Veröffentlichungen zu Schaefer, Henry F..
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21
Colegrove, Brenda Thies. trans-Dimethyldisilyne (Si2(CH3)2): an achievable synthetic target
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 113, No. 5 (1991), p. 1557-1561
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1991
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22
Hamilton, Tracy P.. Structure and energetics of C2H4Br+: ethylenebromonium ion vs. bromoethyl cations
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 112, No. 23 (1990), p. 8260-8265
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1990
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23
Xie, Yaoming. Aluminirene (HAlC2H2) and aluminirane (HAlC2H4): aluminum-substituted counterparts of cyclopropene and cyclopropane
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 112, No. 14 (1990), p. 5393-5400
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1990
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24
Seidl, Edward T.. Diketene and its cyclic C4H4O2 isomers 1,3-cyclobutanedione and 2,4-dimethylene-1,3-dioxetane
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 112, No. 4 (1990), p. 1493-1499
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1990
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25
Scuseria, Gustavo E.. The unimolecular triple dissociation of glyoxal: transition-state structures optimized by configuration interaction and coupled cluster methods
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 111, No. 20 (1989), p. 7761-7765
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1989
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26
Grev, Roger S.. Why metalloid-substituted unsaturated compounds are colored
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 111, No. 16 (1989), p. 6137-6139
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1989
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27
Grev, Roger S.. Reassignment of the structure of silicon dicarbonyl based on theoretically predicted IR spectra
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 111, No. 15 (1989), p. 5687-5691
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1989
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28
Seidl, Edward T.. The silanoic acid dimer (HSiOOH)2: a simple molecular system incorporating two very strong hydrogen bonds
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 111, No. 5 (1989), p. 1569-1574
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1989
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29
Grev, Roger S.. Hetero-substituted cyclopolysilanes. Unusual structures and a new model of bonding in 1,3-disubstituted four-membered rings
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 109, No. 22 (1987), p. 6577-6585
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1987
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30
Grev, Roger S.. Cyclopolysilanes: structure, strain, and the form of the singly occupied molecular orbital in their radical anions
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 109, No. 22 (1987), p. 6569-6577
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1987
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31
Janssen, Curtis L.. Cycloheptatrienylidene singlet-triplet energetics: theory responds
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 109, No. 16 (1987), p. 5030-5031
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1987
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32
Grev, Roger S.. The ultraviolet spectrum of dimethylsilylene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 108, No. 19 (1986), p. 5804-5808
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1986
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33
Clabo, D. Allen. Tetrasilatetrahedrane
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 108, No. 15 (1986), p. 4344-4346
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1986
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34
Scheiner, Andrew C.. Why the energetic minimum aluminum vinylidene is not observed in low-temperature aluminum + acetylene reactions
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 107, No. 15 (1985), p. 4451-4453
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1985
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35
Breulet, Jacques. Comparison between the s-cis and gauche conformers of 1,3-butadiene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 106, No. 21 (1984), p. 6250-6253
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1984
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36
Yamaguchi, Yukio. Equilibrium geometries for triplet trimethylene, .bul.CH2CH2CH2.bul.
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 106, No. 18 (1984), p. 5115-5118
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1984
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37
Breulet, Jacques. Conrotatory and disrotatory stationary points for the electrocyclic isomerization of cyclobutene to cis-butadiene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 106, No. 5 (1984), p. 1221-1226
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1984
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38
Saxe, Paul. Cyclic D6h hexaazabenzene - a relative minimum on the hexaazabenzene potential energy hypersurface?
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 105, No. 7 (1983), p. 1760-1764
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1983
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39
Vincent, Mark A.. Diborane(4) (B2H4): the boron hydride analog of ethylene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 103, No. 19 (1981), p. 5677-5680
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1981
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40
Kim, Kwang S.. Geometric isomerism in triplet carbenes: carbohydroxycarbene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 102, No. 16 (1980), p. 5389-5390
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1980