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Henry F. Schaefer

Veröffentlichungen von Henry F. Schaefer zu Grev, Roger S.. ->
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 Grev, Roger S..
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1
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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2
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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3
Grev, Roger S.. Why metalloid-substituted unsaturated compounds are colored
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 111, No. 16 (1989), p. 6137-6139
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1989
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4
Grev, Roger S.. Reassignment of the structure of silicon dicarbonyl based on theoretically predicted IR spectra
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 111, No. 15 (1989), p. 5687-5691
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1989
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5
Grev, Roger S.. Relative energies of silaethylene and methylsilylene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 110, No. 22 (1988), p. 7337-7339
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1988
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6
Grev, Roger S.. Hetero-substituted cyclopolysilanes. Unusual structures and a new model of bonding in 1,3-disubstituted four-membered rings
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 109, No. 22 (1987), p. 6577-6585
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1987
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7
Grev, Roger S.. Cyclopolysilanes: structure, strain, and the form of the singly occupied molecular orbital in their radical anions
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 109, No. 22 (1987), p. 6569-6577
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1987
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8
Grev, Roger S.. The ultraviolet spectrum of dimethylsilylene
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 108, No. 19 (1986), p. 5804-5808
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1986
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9
Grev, Roger S.. C3+ is bent [Erratum to document cited in CA112(21):197251t]
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 94, No. 24 (1990), p. 8744-8744
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1990
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10
Grev, Roger S.. C3+ is bent
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 94, No. 9 (1990), p. 3379-3381
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1990
1. Verfasser: Grev, Roger S..
beteiligte Personen: Alberts, Ian L.. , Schaefer, Henry F..
Erschienen: s.l. : American Chemical Society, 1990.
Serie: ACS Legacy Archives [Dig. Serial]
Schlagwörter:
URL: http://dx.doi.org/10.1021/j100372a007
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11
Grev, Roger S.. Rearrangement barriers in doubly bonded germanium compounds
In: Organometallics. - Washington, DC : ACS Publ., ISSN 1520-6041, Vol. 11, No. 11 (1992), p. 3489-3492
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1992
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12
Gordon, Mark S.. Insertion reactions of monovalent silicon: a nonvanishing barrier for the silylidyne plus hydrogen reaction SiH + H2
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 115, No. 4 (1993), p. 1503-1507
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1993
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13
Hilliard, Randall K.., Grev, Roger S.. The excited electronic states of H2CSi
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 107, No. 21 (1997), p. 8823-8828
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1997
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14
Collins, Charlene L.., Grev, Roger S.. Relativistic effects in silicon chemistry: Are the experimental heats of formation of the silicon atom and SiH4 compatible?
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 108, No. 13 (1998), p. 5465-5468
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1998
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15
Stogner, Steven M.., Grev, Roger S.. Germyne, H–C(Triple Bond)Ge–H, and the excited states of 1-germavinylidene, H2C(Double Bond)Ge
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 108, No. 13 (1998), p. 5458-5464
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1998
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16
Grev, Roger S.., Schaefer, Henry F.. Geometrical structure and vibrational frequencies of several electronic states of Si2C
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 82, No. 9 (1985), p. 4126-4130
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1985
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17
Grev, Roger S.., Schaefer, Henry F.. 6-311G is not of valence triple-zeta quality
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 91, No. 11 (1989), p. 7305-7306
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1989
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18
Grev, Roger S.., Schaefer, Henry F.. Natural orbitals from single and double excitation configuration interaction wave functions: their use in second-order configuration interaction and wave functions incorporating...
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 96, No. 9 (1992), p. 6850-6856
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1992
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19
Grev, Roger S.., Schaefer, Henry F.. Thermochemistry of CHn, SiHn (n=0–4), and the cations SiH+, SiH2+, and SiH3+: A converged quantum mechanical approach
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 97, No. 11 (1992), p. 8389-8406
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1992
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20
Grev, Roger S.., Schaefer, Henry F.. The remarkable monobridged structure of Si2H2
In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 97, No. 11 (1992), p. 7990-7998
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1992