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Paul v. R. Schleyer

Veröffentlichungen von Paul v. R. Schleyer zu Buehl, Michael. ->
weitere Veröffentlichungen von Paul v. R. Schleyer:
Preparation of 1-fluoro-2,4,6-trihalogeno-s-triazinium hexafluoroarsenates: structure of [C3N3Cl3F][AsF6] as deduced by experimental and ab initio methods (1993)
Theoretical refinement of the pentaborane (B5H11) structure. Application of IGLO chemical shift calculations (1990)
Double Aromaticity in the 3,5-Dehydrophenyl Cation and in Cyclo[6]carbon (1994)
Relationships in the rotational barriers of all Group 14 ethane congeners H3X-YH3 (X, Y = C, Si, Ge, Sn, Pb). Comparisons of ab initio pseudopotential and all-electron results (1992)
Distortion toward bridging accompanying hyperconjugation in a simple tertiary alkyl carbocation (1991)
Hyperconjugative distortions and the cyclopentyl cation structure (1989)
The nontetrahedral structure and fluxional character of SiLi4. A violation of both van't Hoff and electrostatic bonding principles (1988)
A comparison of the energies of double bonds of second-row elements with carbon and silicon (1988)
The ab initio energy difference favoring the nonclassical over the classical structure of the bicyclo[2.1.1]hexyl cation. Comparison of calculated (IGLO) and experimental 13C chemical shifts (1988)
Structures and energies of isomeric cyclopentenyl cations. Resolution of the question of anchimeric assistance in cyclopenten-4-yl solvolysis (1987)
Do anomeric effects involving the second-row substituents, chlorine, mercapto, and phosphino exist? Stabilization energies and structural preferences (1985)
On the structure of the allyl anion (1985)
Structures and stabilities of α-hetero-substituted organolithium and organosodium compounds. Energetic unimportance of d-orbital effects (1984)
On the structure and stability of 1,3-dilithiopropanes and other .alpha.,.omega.-dilithioalkanes. The importance of lithium hydride complexes as structural alternatives and reaction intermediates (1983)
Effectively hypervalent molecules. 2. Lithium carbide (CLi5), lithium carbide (CLi6), and the related effectively hypervalent first row molecules, CLi5-nHn and CLi6-nHn (1983)
Veröffentlichungen zu Buehl, Michael.
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1
Buehl, Michael. The structure of octahydrooctaborate(2-) in solution. Is nonahydrooctaborate(1-) also involved? An ab initio/IGLO/NMR study
In: Inorganic chemistry. - Washington, DC : American Chemical Society, ISSN 1520-510X, Vol. 31, No. 18 (1992), p. 3769-3775
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1992
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2
Buehl, Michael. Magnetic Properties of C60H36 Isomers
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 117, No. 16 (1995), p. 4623-4627
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1995
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3
Buehl, Michael. Helium and Lithium NMR Chemical Shifts of Endohedral Fullerene Compounds: An ab Initio Study
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 116, No. 13 (1994), p. 6005-6006
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1994
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4
Buehl, Michael. SN2 reaction at neutral nitrogen: transition state geometries and intrinsic barriers.
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 115, No. 20 (1993), p. 9143-9147
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1993
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5
Buehl, Michael. Application and evaluation of ab initio chemical shift calculations for boranes and carboranes. How reliable are "accurate" experimental structures?
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 114, No. 2 (1992), p. 477-491
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1992
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6
Buehl, Michael. Allylborane and its isomers. An ab initio study of the C3BH7 potential energy surface, the barrier to 1,3-shifts in allylboranes, and nonclassical boracyclobutane,...
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 113, No. 7 (1991), p. 2466-2471
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1991
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7
Buehl, Michael. Applications and evaluations of IGLO (individual gauge for localized orbitals) chemical shift calculations for organolithium compounds
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 113, No. 7 (1991), p. 2459-2465
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1991
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8
McKee, Michael L.. A combined NMR/IGLO/Ab initio study of the carborane anion C2B10H13(=) isomers
In: Inorganic chemistry. - Washington, DC : American Chemical Society, ISSN 1520-510X, Vol. 32, No. 9 (1993), p. 1712-1715
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1993
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9
McKee, Michael L.. Theoretical investigation of four-center two-electron bonding involving boron derivatives
In: Inorganic chemistry. - Washington, DC : American Chemical Society, ISSN 1520-510X, Vol. 32, No. 21 (1993), p. 4549-4554
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1993
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10
Bakowies, Dirk. Can Large Fullerenes Be Spherical?
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 117, No. 40 (1995), p. 10113-10118
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1995
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11
Schleyer, Paul v. R.. Theoretical refinement of the pentaborane (B5H11) structure. Application of IGLO chemical shift calculations
In: Inorganic chemistry. - Washington, DC : American Chemical Society, ISSN 1520-510X, Vol. 29, No. 2 (1990), p. 153-155
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1990
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12
Mebel, A. M.. Structure and nonrigidity of undecahydrodecaborate(1-). An ab initio/IGLO/NMR study
In: Inorganic chemistry. - Washington, DC : American Chemical Society, ISSN 1520-510X, Vol. 32, No. 4 (1993), p. 463-468
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1993
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13
Hnyk, Drahomir. Molecular structure of 1-thia-closo-dodecaborane(II) studied by electron diffraction complemented by ab initio calculations
In: Inorganic chemistry. - Washington, DC : American Chemical Society, ISSN 1520-510X, Vol. 31, No. 12 (1992), p. 2464-2467
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1992
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14
Hnyk, Drahomir. Molecular structure of 1,2-dicarba-closo-decaborane(10) as studied by the concerted use of electron diffraction and ab initio calculations
In: Inorganic chemistry. - Washington, DC : American Chemical Society, ISSN 1520-510X, Vol. 33, No. 21 (1994), p. 4781-4786
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1994
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15
Hnyk, Drahomir. Molecular structure of 1-aza-closo-dodecaborane(12). Experimental and theoretical refinement
In: Inorganic chemistry. - Washington, DC : American Chemical Society, ISSN 1520-510X, Vol. 32, No. 11 (1993), p. 2442-2445
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1993
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16
Bausch, Joseph W.. An ab initio/IGLO/NMR study of the nido-carborane C2B6H10
In: Inorganic chemistry. - Washington, DC : American Chemical Society, ISSN 1520-510X, Vol. 31, No. 14 (1992), p. 3060-3062
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1992
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17
Schulman, Jerome M.. Homoconjugation in 7-boranorbornene and 7-boranorbornadiene: comparison with the isoelectronic 7-norbornenyl and 7-norbornadienyl cations
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 114, No. 20 (1992), p. 7897-7901
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1992
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18
Paquette, Leo A.. Structure of lithium isodicyclopentadienide and lithium cyclopentadienide in tetrahydrofuran solution. A combined NMR, IGLO, and MNDO study
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 112, No. 24 (1990), p. 8776-8789
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1990
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19
Brain, Paul T.. 2,4-Ethanotetraborane Derivatives. 2. Synthesis, Characterization, and Gas-Phase Structures of 2,4-(MeCHCH2)B4H8, 2,4-(trans-MeCHCHMe)B4H8, and 2- and 4-Pr-2,4-(MeCHCH2)B4H7
In: Inorganic chemistry. - Washington, DC : American Chemical Society, ISSN 1520-510X, Vol. 34, No. 11 (1995), p. 2841-2849
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1995
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20
Hnyk, Drahomir., Brain, Paul T.., ... Molecular Structure of 2,4-Ethanotetraborane(10), B4H8(CH2)2, as Determined by Gas-Phase Electron Diffraction and Ab Initio Computations
In: Inorganic chemistry. - Washington, DC : American Chemical Society, ISSN 1520-510X, Vol. 33, No. 12 (1994), p. 2572-2578
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1994