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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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101
Goddard, John D.. Methylsilylene, silaethylene, and silylmethylene: energies, structures, and unimolecular reactivities
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 102, No. 26 (1980), p. 7644-7650
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1980
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102
Trenary, Michael. A novel class of molecular complexes: lithium-ammonia, lithium-water, lithium-hydrofluoric acid, lithium-hydrogen sulfide, sodium-water, and sodium-hydrofluoric acid
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 99, No. 11 (1977), p. 3885-3886
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1977
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103
Alexandratos, Spiro. The simplest metallocene: cyclopentadienyllithium
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 98, No. 25 (1976), p. 7959-7962
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1976
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104
Lucchese, Robert R.. Charge-transfer complexes. NH3O3, NH3SO2, and N(CH3)3SO2
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 98, No. 24 (1976), p. 7617-7620
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1976
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105
Yarkony, David R.. X 3A2, a 1E, and b 1A1 electronic states of methylnitrene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 96, No. 19 (1974), p. 5974-5977
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1974
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106
Yarkony, David R.. Geometries of the methoxy radical (X 2E and A 2A1 states) and the methoxide ion
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 96, No. 3 (1974), p. 656-659
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1974
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107
Bagus, Paul S.. Electronic structure and properties of krypton difluoride
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 94, No. 19 (1972), p. 6635-6641
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1972
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108
McGrath, Mark P.. Bowlane: towards planar tetracoordinate carbon
In: The journal of organic chemistry. - [S.l.] : American Chemical Society, ISSN 1520-6904, Vol. 57, No. 18 (1992), p. 4847-4850
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1992
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109
Ma, Buyong. The Quest for a Metaphosphate Intermediate. The Mechanisms for Hydrolysis of Pyrophosphates with and without Catalysis
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 99, No. 11 (1995), p. 3815-3822
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1995
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110
Ma, Buyong. Pyrophosphate Structures and Reactions: Evaluation of Electrostatic Effects on the Pyrophosphates with and without Alkali Cations
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 98, No. 33 (1994), p. 8216-8223
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1994
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111
Baldwin, John E.. Thermal Stereomutations of Cyclopropane and of Isotopically Labeled Cyclopropanes Assessed through ab Initio Computational Methods and Kinetic Isotope Effect Calculations
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 98, No. 31 (1994), p. 7513-7522
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1994
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112
Duran, Miquel. Analytic energy second derivatives for open-shell two-configuration self-consistent-field wave functions: application to carbyne and silyne least-motion insertion reactions
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 92, No. 11 (1988), p. 3070-3075
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1988
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113
Vincent, Mark A.. High-spin electronic states of the experimentally observed molecular ions methylenemanganese (MnCH2+) and methylenechromium (CrCH2+)
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 86, No. 20 (1982), p. 3905-3906
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1982
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114
Valeev, Edward F.., Schaefer, Henry F.. The protonated water dimer: Brueckner methods remove the spurious C1 symmetry minimum
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 108, No. 17 (1998), p. 7197-7201
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1998
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115
Valeev, Edward F.., Schaefer, Henry F.. Evaluation of two-electron integrals for explicit r12 theories
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 113, No. 10 (2000), p. 3990-3995
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2000
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116
Gaw, Jeffrey F.., Schaefer, Henry F.. Molecular structures and energetics for the lowest triplet states of glyoxal
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 83, No. 4 (1985), p. 1741-1745
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1985
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117
Yates, Brian F.., Schaefer, Henry F.. The inversion barrier in NF+⋅3
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 100, No. 6 (1994), p. 4459-4466
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1994
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118
DeKock, Roger L.. Electronic structure of the 3.SIGMA.- states of silicon-oxygen compounds, SiOSi and SiSiO
In: Inorganic chemistry. - Washington, DC : American Chemical Society, ISSN 1520-510X, Vol. 28, No. 9 (1989), p. 1680-1684
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1989
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119
Xie, Yaoming. The wealth of energetically low-lying isomers for very simple organometallic systems. The aluminum-acetylene (AlC2H2) system
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 112, No. 2 (1990), p. 517-523
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1990
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120
Bauschlicher, Charles W.. Transition states for the abstraction reactions of triplet methylene with hydrogen and methane
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 98, No. 11 (1976), p. 3072-3074
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1976