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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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421
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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422
Lundberg, James K.., Field, Robert W.., ... Acetylene: Synergy between theory and experiment
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 98, No. 11 (1993), p. 8384-8391
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1993
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423
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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424
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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425
O'Leary, Paul., Thomas, J. Russell., ... A study of the silagermylyne (SiGeH2) molecule: A new monobridged structure
in: International Journal of Quantum Chemistry, in: International Journal of Quantum Chemistry . - New York, NY : Wiley, ISSN 0020-7608, ZDB-ID 1475014-4 Vol. 56 (S29. 1995), p. 593-604
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1995
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426
Sulzbach, Horst M.., Vacek, George., ... NMR chemical shielding surface of N-Acetyl-N′-Methylalaninamide: A density functional study
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 18 (1. 1997), p. 126-138
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1997
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427
Simandiras, Emmanuel D.. Second-order perturbation theory and configuration interaction theory applied to medium-sized molecules: cyclopropane, ethylenimine, ethylene oxide, fluoroethane, and acetaldehyde
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 110, No. 5 (1988), p. 1388-1393
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1988
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428
Brackett, D. J., Hamburger, S. A., ... An assessment of plasma histamine concentrations during documented endotoxic shock
in: Inflammation research , ISSN 1420-908X, Vol. 31 (3/4. 1990), p. 263-274
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1990
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429
Okumura, M.., Yeh, L. I.., ... Radiative decay lifetimes of CH−2
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 86, No. 7 (1987), p. 3807-3815
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1987
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430
Kim, Kwang S.., Kim, Hyun Sik., ... Hydrogen bonding between the water molecule and the hydroxyl radical (H2O⋅OH): The 2A‘ and 2A' minima
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 94, No. 3 (1991), p. 2057-2062
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1991
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431
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