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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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181
Kellogg, Charles B., Schaefer, Henry F. Coupled-cluster vibrational frequencies for open, ring and superoxide sulfur dioxide
in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 96 (1. 1997), p. 7-10
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1997
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182
Vincent, Mark A., Schaefer, Henry F. Some unexpected relationships between first, second and third derivative electron repulsion integrals for diatomic and triatomic molecules
in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 64 (1. 1983), p. 21-26
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1983
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183
Duke, Brian J.. Chlorogallanes (GaClH2, GaCl2H, and GaCl3) and their dimer isomers
In: Inorganic chemistry. - Washington, DC : American Chemical Society, ISSN 1520-510X, Vol. 30, No. 22 (1991), p. 4225-4229
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1991
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184
Jin, Suqian. Multiple bonding in perfluorodiphosphene (FPPF) and perfluorodiphosphinylidene (PPF2)
In: Inorganic chemistry. - Washington, DC : American Chemical Society, ISSN 1520-510X, Vol. 30, No. 15 (1991), p. 2969-2977
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1991
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185
Allen, Thomas L.. Theoretical studies of borylphosphine, its conjugate base, and the lithium salt of its conjugate base. The use of orbital kinetic energies to determine the origin of the driving...
In: Inorganic chemistry. - Washington, DC : American Chemical Society, ISSN 1520-510X, Vol. 29, No. 10 (1990), p. 1930-1936
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1990
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186
Miller, Deanna M.. Singlet Methylcarbene: An Elusive Intermediate of the Thermal Decomposition of Diazoethane and Methyldiazirine
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 117, No. 14 (1995), p. 4137-4143
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1995
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187
Sulzbach, Horst M.. Influence of the Nonplanarity of the Amide Moiety on Computed Chemical Shifts in Peptide Analogs. Is the Amide Nitrogen Pyramidal?
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 117, No. 9 (1995), p. 2632-2637
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1995
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188
Sulzbach, Horst M.. Interrelationship between Conformation and Theoretical Chemical Shifts. Case Study on Glycine and Glycine Amide
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 116, No. 9 (1994), p. 3967-3972
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1994
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189
Schreiner, Peter R.. Mechanisms of electrophilic substitutions of aliphatic hydrocarbons: methane + nitrosonium cation
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 115, No. 21 (1993), p. 9659-9666
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1993
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190
Yamaguchi, Yukio. A mechanistic study of the ring-opening reaction of singlet oxirane
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 115, No. 13 (1993), p. 5790-5798
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1993
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191
Bliznyuk, Andrey A.. Proton affinities of lysine and histidine: a theoretical consideration of the discrepancy between experimental results from the kinetic and bracketing methods
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 115, No. 12 (1993), p. 5149-5154
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1993
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192
Fowler, Joseph E.. The nearly octahedral hexamethylsulfur and hexamethylselenium molecules: lighter counterparts to the recently synthesized hexamethyltellurium
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 115, No. 10 (1993), p. 4155-4158
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1993
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193
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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194
Palagyi, Zoltan. Striking similarities between elementary silicon and aluminum compounds: monobridged, dibridged, trans-bent, and vinylidene isomers of aluminum hydride (Al2H2)
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 115, No. 5 (1993), p. 1936-1943
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1993
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195
Collins, Charlene L.. Advancing the search for cyclopropenylidenecarbene, the exocyclic ring isomer of diacetylene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 114, No. 22 (1992), p. 8694-8696
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1992
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196
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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197
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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198
Kim, Seung Joon. Phenylnitrene: energetics, vibrational frequencies, and molecular structures
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 114, No. 13 (1992), p. 5349-5355
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1992
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199
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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200
Seidl, Edward T.. Mechanistic, structural, and vibrational aspects of the dimerization of silaethylene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 114, No. 10 (1992), p. 3643-3650
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1992