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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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201
Horner, David A.. Three-membered rings of carbon, silicon, and germanium. An analysis of thermodynamic stability to fragmentation
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 114, No. 6 (1992), p. 2093-2098
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1992
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202
Grev, Roger S.. In search of triplet silylenes
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 113, No. 15 (1991), p. 5638-5643
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1991
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203
Fowler, Joseph E.. Mechanistic study of the electrocyclic ring-opening reaction of thiirane
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 113, No. 13 (1991), p. 4768-4776
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1991
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204
Vacek, George. The infrared spectrum of silacyclopropenylidene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 113, No. 8 (1991), p. 3192-3193
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1991
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205
Meredith, Cynthia. Open-chain and cyclic protonated ozone: the ground-state potential-energy hypersurface
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 113, No. 4 (1991), p. 1186-1193
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1991
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206
Grev, Roger S.. Germasilene, (H2Ge:SiH2) and its isomers silylgermylene and germylsilylene: bond dissociation energies, .pi.-bond energies, and predictions of isomeric stability
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 112, No. 26 (1990), p. 9458-9467
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1990
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207
Quelch, Geoffrey E.. Resolution of a long-standing problem in elemental sulfur chemistry: a theoretical study of tetrasulfur
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 112, No. 24 (1990), p. 8719-8733
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1990
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208
Gallo, Mary M.. Vinylidene: the final chapter?
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 112, No. 24 (1990), p. 8714-8719
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1990
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209
Scheiner, Andrew C.. Mechanism of the photodissociation of s-tetrazine: a unimolecular triple dissociation
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 108, No. 26 (1986), p. 8160-8162
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1986
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210
Frenking, Gernot. Structures and energies of singlet silacyclopropenylidene and 14 higher lying C2SiH2 isomers
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 108, No. 9 (1986), p. 2169-2173
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1986
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211
Lee, Timothy J.. Geometrical structures of four conformers of the phosphocenium ion, P(C5H5)2+. A phosphorus sandwich?
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 107, No. 25 (1985), p. 7239-7243
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1985
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212
Vincent, Mark A.. Molecular and electronic structure of phosphonium cyclopropylide: a theoretical study
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 105, No. 12 (1983), p. 3806-3811
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1983
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213
Bicerano, Jozef. Structure and tunneling dynamics of malonaldehyde. A theoretical study
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 105, No. 9 (1983), p. 2550-2553
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1983
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214
Raine, Gwendolyn P.. The dimers of carbon monoxide and carbon monosulfide. Chemically bound triplet electronic ground states
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 105, No. 2 (1983), p. 194-198
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1983
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215
Kim, Kwang S.. Structure and energetics of realistic carbynes: (carbohydroxy)carbyne (HOCOC.tplbond.)
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 104, No. 6 (1982), p. 1457-1461
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1982
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216
Pitzer, Russell M.. Bis(cyclobutadiene)nickel: geometrical and electronic structure
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 103, No. 19 (1981), p. 5681-5685
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1981
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217
Yoshioka, Yasunori. Theoretical challenge to the experimentally determined geometrical structure of dimethylsilaethylene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 103, No. 9 (1981), p. 2452-2453
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1981
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218
Farnell, Leslie. Structures and stabilities of isomeric [10]annulenes
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 103, No. 9 (1981), p. 2147-2151
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1981
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219
Saxe, Paul. Transition state vibrational analysis for the methyl isocyanide rearrangement, CH3NC .fwdarw. CH3CN
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 102, No. 11 (1980), p. 3718-3723
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1980
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220
Komornicki, Andrew. Reaction of acetylene with fulminic acid. The prototype 1,3-dipolar cycloaddition
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 102, No. 6 (1980), p. 1763-1769
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1980