Search Results - "Liebman, J. F"

Experimental and computational thermochemistry of three nitrogen-containing heterocycles: 2-benzimidazolinone, 2-benzoxazolinone and 3-indazolinone by Morais, V. M. F., Miranda, M. S., Matos, M. A. R., Liebman, J. F

“…The standard molar enthalpies of combustion, sublimation, and formation of three nitrogen-containing heterocycles, namely, 2-benzimidazolinone,…”
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Prediction of enthalpy and standard Gibbs energy of vaporization of haloaromatics from atomic properties by Monte, M J S, Almeida, A R R P, Liebman, J F

“…Halogenated benzenes form a class of pollutants with a huge number of members - 1504 distinct benzene compounds, where one or more hydrogen atoms are replaced…”
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The Energetics of Aromatic Hydrocarbons:  An Experimental Thermochemical Perspective by Slayden, Suzanne W, Liebman, Joel F

“…An experimental thermochemical study was undertaken to discover the aromatic (or nonaromatic or antiaromatic) character of organic compounds…”
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The enthalpy of sublimation of cubane by Bashir-Hashemi, A., Chickos, James S., Hanshaw, William, Zhao, Hui, Farivar, Behzad S., Liebman, Joel F.

“…The sublimation enthalpy of cubane, a key reference material for force field and quantum mechanical computations, was measured by combining the vaporization…”
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The strain energy of fluorinated cyclopropanes: quantum chemical realization of homodesmotic, diagonal and ultradiagonal approaches by Zeiger, D.N, Liebman, J.F

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Reactions of Atmospheric Ions with Selected Hydrofluorocarbons by Morris, Robert A, Viggiano, A. A, Arnold, Susan T, Paulson, J. F, Liebman, Joel F

“…Selected atmospheric ions have been studied for reactivity with the hydrofluorocarbons (HFC's) CF sub(3)CH sub(2)F, CF sub(3)CHFCF sub(3), and CF sub(3)CHFCHF…”
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The energetics of the isomeric 1- and 2-naphthoic acids: context, quantum chemical calculations and thermochemical measurements by CHICKOS, JAMES S., HILLESHEIM, DOROTHEA M., VEREVKIN, SERGEY P., ROUX, MARIA VICTORIA, TEMPRADO, MANUEL, SEGURA, MARTA, NOTARIO, RAFAEL, DEMASTERS, DOUGLAS E., LIEBMAN, JOEL F.

“…The isomeric 1- and 2-naphthoic acids are at the confluence of diverse concepts, techniques and classes of organic compounds. Summing the results of literature…”
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Estimating entropies and enthalpies of fusion of organic compounds by Chickos, James S, Braton, C. Marie, Hesse, Donald G, Liebman, Joel F

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Structure, spectra, and intramolecular motions of 1,4-bis(trimethylsilyl)-1,3-butadiyne: an electron diffraction study using the results of spectral analysis based on scaled quantum-chemical force field for calculating vibrational effects by Traetteberg, M., Khaikin, L.S., Grikina, O.E., Liebman, J.F., Hulce, M.

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Calculational and conceptual study of cyano derivatives of diborane and their iso-analogues by CERNUSAK, IVAN, LIEBMAN, JOEL F.

“…We present the prediction of the MBPT(2)/DZP structures, CCSD+ T(CCSD)/DZP and CCSD+ T(CCSD)/cc-PVTZ energetics for 1,1-dicyanodiborane,…”
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The strain energy of cyclotetradecane is small by Chickos, James S, Hesse, Donald G, Panshin, Sandra Y, Rogers, Donald W, Saunders, Martin, Uffer, Philip M, Liebman, Joel F

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Experimental and theoretical study of the energetics of trialkylsulfonium ions by Deakyne, C.A., Knuth, D.M., Meot-Ner, M., Breneman, C.M., Liebman, J.F.

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Enthalpies of vaporization of some highly branched hydrocarbons by Chickos, James S., Hesse, Donald G., Hosseini, Sarah, Liebman, Joel F., David Mendenhall, G., Verevkin, Sergej P., Rakus, Klaus, Beckhaus, Hans-Dieter, Rüchardt, Christoph

“…Measurements of the molar enthalpy of vaporization Δ vap H mat the temperature T= 298.15 K are reported for 14 liquids and 6 solids each containing one or more…”
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Halomethylenes: effects of halogen substitution on absolute heats of formation by Lias, Sharon G, Karpas, Zeev, Liebman, Joel F

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Stabilization in ground-state tropilidine and tropone by Rogers, Donald W, Podosenin, Andrew, Liebman, Joel F

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Estimating entropies and enthalpies of fusion of hydrocarbons by Chickos, James S, Hesse, Donald G, Liebman, Joel F

“…A group additivity method for estimating fusion entropies and fusion enthalpies is described. The method is based on experimental fusion enthalpies of 191…”
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The oxidizing nature of the hydroxyl radical. A comparison with the ferryl ion (FeO2+) by Koppenol, W. H, Liebman, Joel F

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A group additivity approach for the estimation of vapor pressures of liquid hydrocarbons from 298 to 500 K by Chickos, James S, Hosseini, Sarah, Liebman, Joel F

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Unification of some literature models of aromaticity: calculational and conceptual study of a set of one-ring species by Skancke, A, Hosmane, R S, Liebman, J F

“…Numerous models have been suggested for the important concept of aromaticity. In the current study, a set of recently suggested models of…”
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The ArF+ cation. Is it stable enough to be isolated in a salt? by Frenking, Gernot, Koch, Wolfram, Deakyne, Carol A, Liebman, Joel F, Bartlett, Neil

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