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Henry F. Schaefer

Veröffentlichungen von Henry F. Schaefer zu Quelch, Geoffrey E.. ->
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 Quelch, Geoffrey E..
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1
Quelch, Geoffrey E.. Aspects of the Reaction Mechanism of Ethane Combustion. 2. Nature of the Intramolecular Hydrogen Transfer
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 116, No. 11 (1994), p. 4953-4962
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1994
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Quelch, Geoffrey E.. Aspects of the reaction mechanism of ethane combustion. Conformations of the ethylperoxy radical
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 114, No. 21 (1992), p. 8239-8247
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1992
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3
Quelch, Geoffrey E.. Resolution of a long-standing problem in elemental sulfur chemistry: a theoretical study of tetrasulfur
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 112, No. 24 (1990), p. 8719-8733
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1990
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4
Marsden, Colin J.. Octahedral and Prismatic Isomers of CrF6: Energies and Vibrational Frequencies
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 98, No. 8 (1994), p. 2038-2043
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1994
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5
Marsden, Colin J.. The S32+ dication: the first 16-valence-electron triatomic with an equilateral triangle triplet ground state?
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 114, No. 17 (1992), p. 6802-6807
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1992
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6
Carlson, Heather A.. How stable is cyclobutyne? The activation energy for the unimolecular rearrangement to butatriene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 114, No. 13 (1992), p. 5344-5348
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1992
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7
Meredith, Cynthia. Open-chain and cyclic protonated ozone: the ground-state potential-energy hypersurface
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 113, No. 4 (1991), p. 1186-1193
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1991
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8
Thomas, J. Russell. The unknown unsubstituted tetrazines: 1,2,3,4-tetrazine and 1,2,3,5-tetrazine
In: The journal of organic chemistry. - [S.l.] : American Chemical Society, ISSN 1520-6904, Vol. 56, No. 2 (1991), p. 539-543
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1991
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9
Meredith, Cynthia., Quelch, Geoffrey E.., ... Investigation of XNO and XON (where X=Cl or Br) and their protonated isomers
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 96, No. 1 (1992), p. 480-488
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1992
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10
Burton, Neil A.. Cyclopentadienylidenecarbene: a stable isomer of o-benzyne?
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 113, No. 3 (1991), p. 764-769
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1991
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11
Meredith, Cynthia., Davy, Randall D.., ... Peroxy and cyclic isomers of NO2 and NO−2
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 94, No. 2 (1991), p. 1317-1326
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1991
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12
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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13
Richards, Claude., Meredith, Cynthia., ... Is there a potential minimum corresponding to singlet methylnitrene? A study of the CH3N to CH2NH rearrangement on the lowest singlet state potential energy hypersurface
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 100, No. 1 (1994), p. 481-489
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1994