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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.. [x]
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1
Bender, Charles F.. New theoretical evidence for the nonlinearity of the triplet ground state of methylene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 92, No. 16 (1970), p. 4984-4985
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1970
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2
Rothenberg, Stephen. Ground state self-consistent-field wave functions and molecular properties for the isoelectronic series SiH4, PH3, H2S, and HCl
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 92, No. 11 (1970), p. 3243-3250
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1970
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3
Liskow, Dean H.. Geometry and electronic structure of the hydroperoxyl radical
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 93, No. 25 (1971), p. 6734-6737
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1971
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4
McLaughlin, Donald R., Bender, Charles F., ... Geometry and force constant determination from correlated wave functions for polyatomic molecules: Ground states of H2O and CH2
in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 25 (4. 1972), p. 352-359
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1972
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5
Bender, Charles F.. Singlet-triplet energy separation, Walsh-Mulliken diagrams, and singlet d-polarization effects in methylene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 94, No. 20 (1972), p. 6888-6893
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1972
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6
Liskow, Dean H.. Sign of the dipole moment and other properties of methylsilane
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 94, No. 19 (1972), p. 6641-6644
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1972
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7
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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8
Liskow, Dean H.. Theoretical reaction coordinate for the methyl isocyanide isomerization
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 94, No. 15 (1972), p. 5178-5182
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1972
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9
Hand, Robert W.. Electronic structure of iron trifluoride
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 95, No. 14 (1973), p. 4517-4522
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1973
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10
Liskow, Dean H.. Probable nonexistence of xenon monofluoride as a chemically bound species in the gas phase
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 95, No. 12 (1973), p. 4056-4057
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1973
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11
Rothenberg, Stephen. Molecular properties of the triatomic difluorides beryllium difluoride, boron difluoride, difluoromethylene, nitrogen difluoride and oxygen difluoride
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 95, No. 7 (1973), p. 2095-2100
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1973
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12
Ungemach, Steven R.. Weak attraction between water and methane
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 96, No. 26 (1974), p. 7898-7901
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1974
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13
Pearson, Peter. Three isomers of the nitrite ion
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 96, No. 21 (1974), p. 6778-6779
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1974
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14
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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15
Yarkony, David R.. Triplet electronic ground state of trimethylenemethane
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 96, No. 12 (1974), p. 3754-3758
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1974
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16
Baskin, Craig P.. Reaction pathways for the triplet methylene abstraction CH2(3B1) + H2 .far. CH3 + H
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 96, No. 9 (1974), p. 2709-2713
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1974
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17
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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18
Bagus, Paul S.. Electron correlation and the reality of xenon difluoride
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 97, No. 25 (1975), p. 7216-7219
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1975
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19
Dykstra, Clifford E.. Electronic structure of dicarbonyls. Ground state of glyoxal
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 97, No. 25 (1975), p. 7210-7215
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1975
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20
Lucchese, Robert R.. Charge-transfer complexes. Ammonia-molecular fluorine, ammonia-molecular chlorine, ammonia-chlorine fluoride, trimethylamine-molecular fluorine, trimethylamine-molecular...
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 97, No. 25 (1975), p. 7205-7210
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1975