Search Results - "Schleyer, P.v.R."

Reactions of ethynyl radicals as a source of C4 and C5 hydrocarbons in Titan's atmosphere by Stahl, F, Schleyer, P.v.R, Schaefer III, H.F, Kaiser, R.I

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Thermodynamic stability and optimized structures of hypervalent molecules M2CN (M = Li, Na, K) by Kudo, Hiroshi, Hashimoto, Masashi, Yokoyama, Keiichi, Wu, C.H., Schleyer, P.v.R.

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On the aromatic stabilization energy of the 4N π electron pyrene by Wu, J.I., Dobrowolski, M.A., Cyrański, M.K., Merner, B.L., Bodwell, G.J., Mo, Y., Schleyer, P.v.R.

“…The aromatic stabilization energy (ASE) of pyrene, evaluated with both isodesmic equation and ab initio valence bond (VB) theory-based block localized…”
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Combined experimental and theoretical study of small aluminum oxygen clusters by NEUKERMANS, S, VELDEMAN, N, JANSSENS, E, LIEVENS, P, CHEN, Z, SCHLEYER, P. V. R

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Reactions of ethynyl radicals as a source of C 4 and C 5 hydrocarbons in Titan's atmosphere by Stahl, F, Schleyer, P.v.R, Schaefer III, H.F, Kaiser, R.I

“…Crossed molecular beam experiments augmented by electronic structure computations of neutral–neutral reactions of the ethynyl radical (C 2H, X 2 Σ +) with the…”
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Tetrahydrobenzenes: Singlet-triplet separations and vibrational frequencies by Bettinger, H.F., Schleyer, P.V.R., Schaefer, H.F. III

“…The energies and structures of the three tetradehydrobenzene (C{sub 6}H{sub 2}) isomers (ortho, meta, and para) were studied employing density functional…”
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Tetra-tert-butylethylene:  An Elusive Molecule with a Highly Twisted Double Bond. Can It Be Made by Carbene Dimerization? by Sulzbach, Horst M, Bolton, Evan, Lenoir, Dieter, Schleyer, Paul v. R, Schaefer, Henry F

“…A theoretical evaluation of tetra-tert-butylethylene (1) at the BLYP/DZd level confirms that it should be a stable molecule with a singlet ground state. The…”
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Highly Aromatic Planar all-cis-[10]Annulene Derivatives by Schleyer, Paul v. R, Jiao, Haijun, Sulzbach, Horst M, Schaefer, Henry F

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Thermodynamic stability and optimized structures of hypervalent molecules M 2CN (M = Li, Na, K) by Kudo, Hiroshi, Hashimoto, Masashi, Yokoyama, Keiichi, Wu, C.H., Schleyer, P.v.R.

“…The hypervalent M 2CN (M = Li, Na, K) molecules have been detected in the vapor at elevated temperatures over mixtures of alkali metals and sodium cyanide by…”
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Ground-state substituent effects. I. Deuterium and methyl by Barborak, J. C, Chari, Sarangan, Schleyer, P. v. R

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