Heats of formation and thermochemical parameters of small silicon clusters and their ions, Formula Not Shown with n=2–13TamN.M.NguyenM.T.ingentaconnectChemical Physics LettersTam N. M., Nguyen M. T. - Heats of formation and thermochemical parameters of small silicon clusters and their ions,...
XLV. Ionization Potentials and Heats of Formation of C3H3, C3H5, and C4H7 Radicals and Ions Using an energy-resolved electron beam, appearance potentials for,, and fragment ions from hydrocarbons of formula C3H4, C3H6, C4H6, C4H8, and C5H10 have been measured. In each case the fragment ...
Similar to Gaussian-3 theory, the atomic scheme is applied to calculate the heats of formation of the molecules. In this method, we have modified the formula for calculation of Gaussian-3 theory in several ways, including the correction for diffuse functions and the correction for higher ...
The heats of formation (HOF) for all the 21 polyisocyanocubanes are calculated systematically with density functional theory (DFT) B3LYP and semiempirical MO(MINDO/3, MNDO, AM1 and PM3) methods. First, the accurate HOFs for the 8 title compounds are obtained by means of designed isodesmic re...
Answer to: Be sure to answer all parts. Calculate the heats of combustion for the following reactions. Use the standard enthalpies of formation. ...
Formulae are presented for the propagation v... L Dresner - 《Cryogenics》 被引量: 100发表: 1993年 Risk assessment using transformer loss of life data heats of materials as well as the parameters needed for the analysis shown (i.e., hot-spot gradient, oil rise over ambient, hot-spot ...
Temperature and Density Gradients Across the Nucleus of M82 These gradients may have been caused by the interaction with M81, resulting in increased star formation that both heats and depletes the molecular gas in... GR Petitpas,CD Wilson - 《Astrophysical Journal》 被引量: 20发表: 2000年 Iro...
Applying the Gaussian-3 (G3) model and its variant G3(MP2), and using the atomization scheme, the heats of formation (DHf) at 0 K and 298 K have been calculated for twelve monocyclic azines with the general formula Nn(CH)6-n,n = 1, 2, , 6. Upon comparing the calculated results...
The bonding of compounds of the form RY in the NaCl structure is predominantly ionic, as shown by spectroscopic studies of charge transfer. A formula for the heats of formation of these compounds ( R=Ti, Zr, Hf, V, Nb, Ta and Y=C, N, O) is constructed based on a modification of ...
Unit compositional formulaThe heats of formation and combustion of 100 coal samples were estimated based on an additive method for coal. Analytical values of a database were processed to determine the structural properties of coal, such as the relation between C%-daf and the number of aromatic ...