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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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41
Saxe, Paul. Can cyclopropyne really be made?
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 102, No. 9 (1980), p. 3239-3240
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1980
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42
Laidig, William D.. 1,1-Dilithioethylene. A ground-state triplet olefin with nearly free rotation about the double bond
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 101, No. 24 (1979), p. 7184-7188
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1979
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43
Pitzer, Russell M.. Conformational preferences and electronic structures of bis (.eta.2-ethene)nickel(0) and tris(.eta.2-ethene)nickel(0)
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 101, No. 24 (1979), p. 7176-7183
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1979
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44
Brooks, Bernard R.. Sudden polarization: pyramidalization of twisted ethylene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 101, No. 2 (1979), p. 307-311
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1979
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45
Conrad, Morgan P.. Absence of an energetically viable pathway for triplet 1,2 hydrogen shifts. A theoretical study of the vinylidene-acetylene isomerization
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 100, No. 25 (1978), p. 7820-7823
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1978
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46
Laidig, William D.. Structures and energetics of planar and tetrahedral dilithiomethane. A near degeneracy of singlet and triplet electronic states
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 100, No. 18 (1978), p. 5972-5973
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1978
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47
Dykstra, Clifford E.. The vinylidene-acetylene rearrangement. A self-consistent electron pairs study of a model unimolecular reaction
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 100, No. 5 (1978), p. 1378-1382
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1978
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48
Lucchese, Robert R.. Metal-carbene complexes and the possible role of hydroxycarbene in formaldehyde laser photochemistry
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 100, No. 1 (1978), p. 298-299
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1978
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49
Radom, Leo. The limits of stability of multiply charged monocyclic aromatic cations: C3H3+, C4H42+, C5H53+, C6H64+, C7H7+, C8H82+, C9H93+
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 99, No. 23 (1977), p. 7522-7526
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1977
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50
Lucchese, Robert R.. Extensive configuration interaction studies of the methylene singlet-triplet separation
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 99, No. 20 (1977), p. 6765-6766
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1977
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51
Lucchese, Robert R.. Dicyanocarbene. Triplet and singlet structures and energetics
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 99, No. 1 (1977), p. 13-14
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1977
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52
Swope, William C.. Model organometallic systems. The interaction of 2S beryllium(1+) ion, 1S beryllium, and 3P beryllium atoms with acetylene and ethylene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 98, No. 25 (1976), p. 7962-7967
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1976
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53
Meadows, James H.. One- and two-configuration Hartree-Fock limit predictions for the singlet-triplet separation in methylene and silylene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 98, No. 15 (1976), p. 4383-4386
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1976
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54
Dykstra, Clifford E.. Excited electronic states of ketene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 98, No. 10 (1976), p. 2689-2695
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1976
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55
Ungemach, Steven R.. Molecular structure of the chlorine difluoride and chlorine tetrafluoride radicals. A theoretical study
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 98, No. 7 (1976), p. 1658-1662
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1976
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56
Dykstra, Clifford E.. Electronic structure of dicarbonyls. Glyoxal excited states
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 98, No. 2 (1976), p. 401-406
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1976
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57
Dykstra, Clifford E.. Electronic structure of dicarbonyls. Ground state of glyoxal
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 97, No. 25 (1975), p. 7210-7215
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1975
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58
Lucchese, Robert R.. Charge-transfer complexes. Ammonia-molecular fluorine, ammonia-molecular chlorine, ammonia-chlorine fluoride, trimethylamine-molecular fluorine, trimethylamine-molecular...
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 97, No. 25 (1975), p. 7205-7210
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1975
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59
Schwenzer, Gretchen M.. Hypervalent molecules sulfurane (SH4) and persulfurane (SH6)
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 97, No. 6 (1975), p. 1393-1397
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1975
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60
Ungemach, Steven R.. Weak attraction between water and methane
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 96, No. 26 (1974), p. 7898-7901
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1974