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Henry F. Schaefer

Veröffentlichungen von Henry F. Schaefer zu Seidl, Edward T.. ->
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 Seidl, Edward T..
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1
Seidl, Edward T.. Mechanistic, structural, and vibrational aspects of the dimerization of silaethylene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 114, No. 10 (1992), p. 3643-3650
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1992
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2
Seidl, Edward T.. Theoretical investigation of the dimerization of ketene: does the 2S + 2A cycloaddition reaction exist?
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 113, No. 14 (1991), p. 5195-5200
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1991
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3
Seidl, Edward T.. Face-fused dicubane (C12H8) and its dicubene isomer: achievable synthetic targets?
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 113, No. 6 (1991), p. 1915-1917
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1991
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4
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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5
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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6
Seidl, Edward T.. Molecular structure of diketene: a discrepancy between theory and experiments?
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 96, No. 2 (1992), p. 657-661
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1992
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7
Seidl, Edward T.. A new configuration of 12-crown-4
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 95, No. 9 (1991), p. 3589-3590
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1991
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8
Seidl, Edward T.., Schaefer, Henry F.. Theoretical studies of oxygen rings: Cyclotetraoxygen, O4
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 88, No. 11 (1988), p. 7043-7049
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1988
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9
Seidl, Edward T.., Schaefer, Henry F.. Is there a transition state for the unimolecular dissociation of cyclotetraoxygen (O4)?
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 96, No. 2 (1992), p. 1176-1182
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1992
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10
Seidl, Edward T.., Schaefer, Henry F.. Equilibrium geometry of the HCCN triplet ground state: Carbene or allene? An open-shell coupled cluster study including connected triple excitations
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 96, No. 6 (1992), p. 4449-4452
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1992
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11
Nielsen, Ida M. B.., Seidl, Edward T.. Parallel direct implementations of second-order perturbation theories
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 16 (10. 1995), p. 1301-1313
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1995
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12
Sherrill, C. David. Closs's diradical: some surprises on the potential energy hypersurface
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 96, No. 9 (1992), p. 3712-3716
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1992
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13
Thomas, J. Russell., Quelch, Geoffrey E.., ... The titane molecule (TiH4): Equilibrium geometry, infrared and Raman spectra of the first spectroscopically characterized transition metal tetrahydride
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 96, No. 9 (1992), p. 6857-6861
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1992
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14
Lundberg, James K.., Field, Robert W.., ... Acetylene: Synergy between theory and experiment
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 98, No. 11 (1993), p. 8384-8391
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1993