Calculation of Entropy and Heat Capacity of Organic Compounds in the Gas Phase. Evaluation of a Consistent Method without Adjustable Parameters. Applications to Hydrocarbons von DeTar, DeLos F

Volltext

Thermochemical Values of Oxygen-Containing Compounds from ab Initio Calculations:  2. High Accuracy Enthalpies of Formation of Alcohols and Ethers von DeTar, DeLos F

Volltext

Thermochemical Values of Oxygen-Containing Compounds from ab Initio Calculations. 1. Enthalpies of Formation of Ethers and Alcohols von DeTar, DeLos F

Volltext

A Critical Examination of the Calculation of .DELTA.Hf.degree. Values from ab Initio Energies and from Steric Energies Obtained by Molecular Mechanics von DeTar, DeLos F

Volltext

Cyclization and polymerization of .omega.-(bromoalkyl)dimethylamines von DeTar, DeLos F, Brooks, Walter

Volltext

Suggested preliminary standards for calibration of optical rotatory dispersion and circular dichroism instruments von DeTar, DeLos F

Volltext

Experimental formal steric enthalpy. 1. Alkanes and cycloalkanes von DeTar, DeLos F

Volltext

Calculation of formal steric enthalpy with MM2 von DeTar, DeLos F

Volltext

Experimental formal steric enthalpy. 2. Olefins von DeTar, DeLos F

Volltext

Experimental formal steric enthalpy. 3. Alcohols and ethers von DeTar, DeLos F

Volltext

Experimental formal steric enthalpy. 4. Aldehydes, ketones, acids, and esters von DeTar, DeLos F

Volltext

Tetrahedral intermediate in acyl transfer reactions. A revaluation of the significance of rate data used in deriving fundamental linear free energy relationships von DeTar, DeLos F

Volltext

Quantitative evaluation of steric effects in SN2 ring closure reactions von DeTar, DeLos F, Luthra, Narender P

Volltext

Effects of alkyl groups on rates of acyl-transfer reactions von DeTar, DeLos F

Volltext

Conformations of proline von DeTar, DeLos F, Luthra, Narender P

Volltext

General definition of formal steric enthalpy and applications to estimating differences of enthalpies of formation von DeTar, DeLos F

Volltext

Theoretical ab Initio Calculation of Entropy, Heat Capacity, and Heat Content von DeTar, DeLos F.

Volltext

Carboxylic acid-amine equilibria in nonaqueous solvents von DeTar, DeLos F, Novak, Ronald W

Volltext

Taft .sigma. values of alkyl groups: an artifact von DeTar, DeLos F

Volltext

Conformational populations and reaction rates von DeTar, DeLos F

Volltext