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Henry F. Schaefer

Veröffentlichungen von Henry F. Schaefer zu DeLeeuw, Bradley J.. ->
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 DeLeeuw, Bradley J..
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1
DeLeeuw, Bradley J.. Substitution effects on the properties of unsaturated carbenes: fluorovinylidene (HFC:C:)
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 115, No. 3 (1993), p. 1039-1047
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1993
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Vacek, George., DeLeeuw, Bradley J.., ... The X˜ AlOH–X˜ HAlO isomerization potential energy hypersurface
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 98, No. 11 (1993), p. 8704-8709
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1993
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3
Thomas, J. Russell., DeLeeuw, Bradley J.., ... A systematic theoretical study of the harmonic vibrational frequencies for polyatomic molecules: The single, double, and perturbative triple excitation coupled-cluster [CCSD(T)]...
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 98, No. 2 (1993), p. 1336-1344
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1993
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4
Vacek, George., Thomas, J. Russell., ... Isomerization reactions on the lowest potential energy hypersurface of triplet vinylidene and triplet acetylene
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 98, No. 6 (1993), p. 4766-4776
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1993
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5
Yamaguchi, Yukio., Vacek, George., ... First and second energy derivative analyses of the vinylidene and acetylene triplet state potential energy hypersurfaces
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 100, No. 7 (1994), p. 4969-4980
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1994
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6
Yamaguchi, Yukio., DeLeeuw, Bradley J.., ... Comparative energy derivative analyses of the HBO–BOH and AlOH–HAlO potential energy hypersurfaces
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 101, No. 4 (1994), p. 3006-3017
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1994
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7
Richards, Claude A.., Vacek, George., ... An ab initio study on the ground state HBO–BOH system
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 102, No. 3 (1995), p. 1280-1287
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1995
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8
Thomas, J. Russell., DeLeeuw, Bradley J.., ... The balance between theoretical method and basis set quality: A systematic study of equilibrium geometries, dipole moments, harmonic vibrational frequencies, and infrared...
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 99, No. 1 (1993), p. 403-416
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1993
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9
Bolton, Evan E.., DeLeeuw, Bradley J.., ... The silicon–carbon symmetric stretching fundamental ν1 of Si2C: Nonintuitive theoretical behavior
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 97, No. 8 (1992), p. 5586-5591
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1992
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10
Ramelot, Theresa A.., Hu, Ching-Han., ... Carbonyl–water hydrogen bonding: The H2CO–H2O prototype
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 100, No. 6 (1994), p. 4347-4354
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1994
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11
Thomas, J. Russell., DeLeeuw, Bradley J.., ... The ethylenedione anion: Elucidation of the intricate potential energy hypersurface
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 102, No. 16 (1995), p. 6525-6536
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1995
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12
Ishkanian, Adrian S, Malloff, Chad A, ... A tiling resolution DNA microarray with complete coverage of the human genome
in: Nature genetics . - New York, NY : Nature America, ISSN 1546-1718, Vol. 36, No. 3 (2004), p. 299-303
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2004