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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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61
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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62
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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63
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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64
Marsh, Craig M. B.. Lack of Dative Bonds in Bis(ammonia)alane
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 99, No. 39 (1995), p. 14309-14315
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1995
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65
Sherrill, C. David. 1-Silavinylidene: The First Unsaturated Silylene
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 99, No. 7 (1995), p. 1949-1952
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1995
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66
Hu, Ching Han. Cyanovinylidene: an observable unsaturated carbene and a possible interstellar molecule
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 97, No. 41 (1993), p. 10681-10686
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1993
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67
Ignatyev, Igor S.. Diazasilene (SiNN): a comparison of coupled cluster methods with experiment and local density functional methods
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 96, No. 19 (1992), p. 7632-7634
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1992
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68
Ignat'ev, I. S.. Difluorosulfurane (SF2H2): a molecule identified in the laboratory?
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 96, No. 15 (1992), p. 6247-6249
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1992
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69
Gallo, Mary M.. Methylcarbene: the singlet-triplet energy separation
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 96, No. 4 (1992), p. 1515-1517
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1992
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70
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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71
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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72
Colegrove, Brenda Thies. Disilyne (Si2H2) revisited
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 94, No. 14 (1990), p. 5593-5602
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1990
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73
Scuseria, Gustavo E.. Concerted unimolecular triple dissociation of s-tetrazine: transition-state structural optimizations using configuration interaction and coupled cluster methods
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 94, No. 14 (1990), p. 5552-5554
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1990
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74
Hamilton, Tracy P.. Vinylidene radical cation: a sizable barrier to unimolecular rearrangement to the acetylene radical cation
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 93, No. 22 (1989), p. 7560-7562
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1989
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75
Blahous, Charles P.. Geometrical structure and vibrational frequencies for the oxygen analogue of hexasulfur
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 92, No. 4 (1988), p. 959-962
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1988
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76
Grev, Roger S.. Rearrangement barriers in doubly bonded germanium compounds
In: Organometallics. - Washington, DC : ACS Publ., ISSN 1520-6041, Vol. 11, No. 11 (1992), p. 3489-3492
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1992
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77
Frenking, Gernot., Schaefer, Henry F.. The silaformyl radical HSiO and its energetically lower-lying isomer SiOH
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 82, No. 10 (1985), p. 4585-4587
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1985
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78
Magnusson, Eric., Schaefer, Henry F.. Multiple d-type basis functions for molecules containing second row atoms
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 83, No. 11 (1985), p. 5721-5726
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1985
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79
Fitzgerald, George., Schaefer, Henry F.. Analytic energy derivative methods for excited singlet states of the same symmetry as the electronic ground state
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 83, No. 3 (1985), p. 1162-1167
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1985
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80
Liang, Congxin., Schaefer, Henry F.. Carbon clusters: The structure of C10 studied with configuration interaction methods
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 93, No. 12 (1990), p. 8844-8849
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1990