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Henry F. Schaefer

Veröffentlichungen von Henry F. Schaefer zu Ma, Buyong. ->
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 Ma, Buyong.
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1
Ma, Buyong. Structure, Strain Energy, and Magnetic Susceptibility of [4]Paracyclophane and the Activation Energy for Its Interconversion with 1,4-Tetramethylene Dewar Benzene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 117, No. 32 (1995), p. 8392-8400
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1995
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2
Ma, Buyong. Singlet Methylcarbene: Equilibrium Geometry or Transition State?
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 116, No. 8 (1994), p. 3539-3542
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1994
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3
Ma, Buyong. .pi. Electron Delocalization and Compression in Acyclic Acetylenic Precursors to Multidimensional Carbon Networks: Comparison with Experiment for the Recently Synthesized...
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 116, No. 8 (1994), p. 3529-3538
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1994
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4
Ma, Buyong. Isomerization of PO3-.(H2O)n clusters to H2PO4-.(H2O)n-1: transition states and barrier heights
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 115, No. 24 (1993), p. 11169-11179
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1993
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5
Ma, Buyong. Aquated metaphosphate (PO3-.cntdot.(H2O)n) clusters. Molecular anion structures, energetics, and vibrational frequencies
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 115, No. 5 (1993), p. 1943-1951
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1993
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6
Ma, Buyong. The Quest for a Metaphosphate Intermediate. The Mechanisms for Hydrolysis of Pyrophosphates with and without Catalysis
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 99, No. 11 (1995), p. 3815-3822
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1995
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7
Ma, Buyong. Pyrophosphate Structures and Reactions: Evaluation of Electrostatic Effects on the Pyrophosphates with and without Alkali Cations
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 98, No. 33 (1994), p. 8216-8223
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1994
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8
Ma, Buyong., Schaefer, Henry F.. Toward the observation of silanone (H2SiO) and hydroxysilylene (HSiOH) via microwave spectroscopy
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 101, No. 4 (1994), p. 2734-2739
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1994
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9
Ma, Buyong., Allinger, Norman L.., ... Spectroscopic constants and potential energy surfaces for silanone (H2SiO), hydroxysilylene (HSiOH), the hydroxysilylene dimer, and the disilynyl radical (Si2H)
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 105, No. 14 (1996), p. 5731-5736
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1996
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10
Goldstein, Elisheva., Ma, Buyong., ... Molecular mechanics calculations (MM3) on nitriles and alkynes
in: Journal of Physical Organic Chemistry, in: Journal of Physical Organic Chemistry . - Chichester : Wiley, ISSN 0894-3230, ZDB-ID 1475025-9 Vol. 9 (4. 1996), p. 191-202
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1996
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11
Souter, Philip F.. Observed and calculated Raman spectra of the Ga2H6 and Ga2D6 molecules
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 98, No. 49 (1994), p. 12824-12827
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1994