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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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81
Xie, Yaoming., Schaefer, Henry F.. The silaformyl radical HSiO and its SiOH isomer
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 93, No. 2 (1990), p. 1196-1199
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1990
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82
Shen, Mingzuo., Schaefer, Henry F.. The known and unknown group 13 hydride molecules M2H6: Diborane(6), dialane(6), and digallane(6)
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 96, No. 4 (1992), p. 2868-2876
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1992
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83
Xie, Yaoming., Schaefer, Henry F.. Naked organosulfur clusters: The infrared spectrum of the C2S molecule
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 96, No. 5 (1992), p. 3714-3717
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1992
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84
Xie, Yaoming., Schaefer, Henry F.. Hydrogen bonding between the water molecule and the hydroxyl radical (H2O⋅HO): The global minimum
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 98, No. 11 (1993), p. 8829-8834
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1993
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85
Xie, Yaoming., Schaefer, Henry F.. The electron affinity of CF
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 101, No. 11 (1994), p. 10191-10192
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1994
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86
Shen, Mingzuo., Schaefer, Henry F.. Dodecahedral and smaller arsenic clusters: Asn, n=2, 4, 12, 20
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 101, No. 3 (1994), p. 2261-2266
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1994
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87
Ma, Buyong., Schaefer, Henry F.. Toward the observation of silanone (H2SiO) and hydroxysilylene (HSiOH) via microwave spectroscopy
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 101, No. 4 (1994), p. 2734-2739
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1994
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88
Yamaguchi, Yukio., Schaefer, Henry F.. The SiOH+–HSiO+ system: A high level ab initio quantum mechanical study
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 102, No. 13 (1995), p. 5327-5334
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1995
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89
Yamaguchi, Yukio., Schaefer, Henry F.. The GeOH–HGeO system: Are the 3d electrons core or valence?
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 104, No. 24 (1996), p. 9841-9847
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1996
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90
Palagyi, Zoltan. Ge2H2: a germanium-containing molecule with a low-lying monobridged equilibrium geometry
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 115, No. 15 (1993), p. 6901-6903
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1993
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91
Hu, Ching Han. Glycine conformational analysis
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 115, No. 7 (1993), p. 2923-2929
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1993
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92
Davy, Randall D.. Phosphoryl nitride isomeric dimers, trimers, and tetramers: (NPO)x (X = 2-4)
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 113, No. 11 (1991), p. 4136-4138
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1991
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93
Davy, Randall D.. Stabilization of three-membered rings by protonation. The cyclic global minimum of HP2O+, the protonated phosphorus analog of nitrous oxide
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 113, No. 10 (1991), p. 3697-3701
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1991
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94
Duke, Brian J.. Properties of small Group IIIA hydrides including the cyclic and pentacoordinate structures of trialane (Al3H9) and trigallane (Ga3H9): can dialane be isolated?
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 113, No. 8 (1991), p. 2884-2890
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1991
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95
Scheiner, Andrew C.. The ~X1A1 and ~a3B2 states of o-benzyne: a theoretical characterization of equilibrium geometries, harmonic vibrational frequencies, and the singlet-triplet energy gap
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 111, No. 9 (1989), p. 3118-3124
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1989
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96
Lee, Timothy J.. Toward the laboratory identification of cyclopropenylidene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 107, No. 1 (1985), p. 137-142
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1985
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97
Yamaguchi, Yukio. Analytic energy second derivatives for two-configuration self-consistent-field wave functions. Application to twisted ethylene and to the trimethylene diradical
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 105, No. 26 (1983), p. 7506-7511
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1983
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98
Hoffmann, Mark R.. Vibrational frequencies for silaacetylene and its silylidene and vinylidene isomers
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 105, No. 5 (1983), p. 1084-1088
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1983
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99
Fitzgerald, George. Singlet cyclobutyne: a relative minimum on the C4H4 potential-energy hypersurface?
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 105, No. 4 (1983), p. 690-695
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1983
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100
Goddard, John D.. Complete theoretical structures for the classical and nonclassical forms of the 2-norbornyl cation and for edge-protonated nortricyclene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 104, No. 12 (1982), p. 3258-3262
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1982