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Henry F. Schaefer

Veröffentlichungen von Henry F. Schaefer zu Hu, Ching-Han ->
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 Hu, Ching-Han
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Hu, Ching Han. The attractive quartet potential energy surface for the CH(a 4.SIGMA.-) + CO reaction: a role for the a 4A'' state of the ketenyl radical in combustion?
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 115, No. 15 (1993), p. 6904-6907
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1993
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Hu, Ching Han. Glycine conformational analysis
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 115, No. 7 (1993), p. 2923-2929
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1993
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Hu, Ching-Han. The Mechanism of the Thermal Decomposition and the (n-π*) Excited States of Azomethane
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 99, No. 19 (1995), p. 7507-7513
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1995
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4
Hu, Ching-Han. Structure, Infrared Spectrum, and Dissociation Energy of SiH7+
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 98, No. 19 (1994), p. 5040-5043
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1994
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5
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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6
Chong, Delano P.., Hu, Ching-Han. Accurate density functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set. IV. Application to isomers of C3H6O, C3H3NO, and C6H6
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 108, No. 21 (1998), p. 8950-8956
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1998
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7
Hu, Ching-Han., Schaefer, Henry F.. Reaction barrier for the methyldiazenyl radical decomposition (CH3N2→CH3+N2)
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 101, No. 2 (1994), p. 1289-1292
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1994
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8
Hu, Ching-Han., Thakkar, Ajit J.. Potential energy surface for interactions between N2 and He: Ab initio calculations, analytic fits, and second virial coefficients
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 104, No. 7 (1996), p. 2541-2547
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1996
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9
Hu, Ching-Han., Brinck, Tore., ... Ab initio and density functional theory studies of the catalytic mechanism for ester hydrolysis in serine hydrolases
in: International Journal of Quantum Chemistry, in: International Journal of Quantum Chemistry . - New York, NY : Wiley, ISSN 0020-7608, ZDB-ID 1475014-4 Vol. 69 (1. 1998), p. 89-103
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1998
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10
Hu, Ching-Han, Shen, Mingzuo, ... Is dodecahedral P20 special?
in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 88 (1. 1994), p. 29-33
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1994
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11
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