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Henry F. Schaefer

Veröffentlichungen von Henry F. Schaefer zu Bender, Charles 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 Bender, Charles F..
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1
Bender, Charles F.. Singlet-triplet energy separation, Walsh-Mulliken diagrams, and singlet d-polarization effects in methylene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 94, No. 20 (1972), p. 6888-6893
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1972
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2
Bender, Charles F.. New theoretical evidence for the nonlinearity of the triplet ground state of methylene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 92, No. 16 (1970), p. 4984-4985
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1970
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3
Bender, Charles F.. A Natural Orbital Based Energy Calculation for Helium Hydride and Lithium Hydride
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 70, No. 8 (1966), p. 2675-2685
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1966
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4
Bauschlicher, Charles W.. Transition states for the abstraction reactions of triplet methylene with hydrogen and methane
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 98, No. 11 (1976), p. 3072-3074
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1976
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5
Bauschlicher, Charles W.. The least-motion insertion reaction methylene(1A1) + molecular hydrogen .fwdarw. methane. Theoretical study of a process forbidden by orbital symmetry
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 98, No. 7 (1976), p. 1653-1658
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1976
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6
Chase, Charles E.. Efficient Construction of Bi- and Tricyclic Cyclooctanoid Systems via Crossed [4+4]-Photocycloadditions of Pyran-2-ones1
In: Synlett. - Stuttgart [u.a.] : Thieme Vol. 1996, No. 12 (12. 1996), p. 1173-1175
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1996
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7
Bauschlicher, Charles W.. Concerted non-least-motion pathway for the singlet methylene insertion reaction CH2(1A1) + H2 .fwdarw. CH4
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 99, No. 11 (1977), p. 3610-3614
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1977
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8
Kollman, Peter. Theoretical prediction of the existence and properties of the lithium hydride dimer
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 94, No. 23 (1972), p. 8016-8020
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1972
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9
Liskow, Dean H.. Theoretical reaction coordinate for the methyl isocyanide isomerization
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 94, No. 15 (1972), p. 5178-5182
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1972
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10
Liskow, Dean H.. Geometry and electronic structure of the hydroperoxyl radical
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 93, No. 25 (1971), p. 6734-6737
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1971
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11
Baskin, Craig P.. Reaction pathways for the triplet methylene abstraction CH2(3B1) + H2 .far. CH3 + H
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 96, No. 9 (1974), p. 2709-2713
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1974
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12
Chase, Charles E.., Bender, John A.., ... Efficient Construction of Bi- and Tricyclic Cyclooctanoid Systems via Crossed [4+4]-Photocycloadditions of Pyran-2-ones1
in: Synlett. - Stuttgart [u.a.] : Thieme, ISSN 1437-2096, Vol. 1996, No. 12 (1996), p. 1173-1175
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1996
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13
Langmuir, Charles H., Bender, John F., ... Petrological and tectonic segmentation of the East Pacific Rise, 5°30′–14°30′ N
in: Nature . - London [u.a.] : Nature Publising Group, ISSN 1476-4687, Vol. 322, No. 6078 (1986), p. 422-429
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1986
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14
Shirey, Steven B., Bender, John F., ... Three-component isotopic heterogeneity near the Oceanographer transform, Mid-Atlantic Ridge
in: Nature . - London [u.a.] : Nature Publising Group, ISSN 1476-4687, Vol. 325, No. 6101 (1987), p. 217-223
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1987
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15
Reynolds, Jennifer R., Langmuir, Charles H., ... Spatial and temporal variability in the geochemistry of basalts from the East Pacific Rise
in: Nature . - London [u.a.] : Nature Publising Group, ISSN 1476-4687, Vol. 359, No. 6395 (1992), p. 493-499
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1992
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16
McLaughlin, Donald R., Bender, Charles F., ... Geometry and force constant determination from correlated wave functions for polyatomic molecules: Ground states of H2O and CH2
in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 25 (4. 1972), p. 352-359
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1972
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17
Bender, Myron L.., -Cantón, Maria Luisa Begué., ... The Determination of the Concentration of Hydrolytic Enzyme Solutions: α-Chymotrypsin, Trypsin, Papain, Elastase, Subtilisin, and Acetylcholinesterase1
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 88, No. 24 (1966), p. 5890-5913
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1966