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Thermochemistry of
Organic Compounds |
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- Automatic Estimation
of Ring Strain Energies
J. Gasteiger, O. Dammer
Tetrahedron, 34, 2939-2945 (1978)
- An Algorithm for Estimating Heats of
Reaction
J. Gasteiger
Comput. Chem., 2, 85-88 (1978)
- Critical Evaluation
of Additivity Schemes for Estimating Heats of
Atomization
J. Gasteiger, P. Jacob, U. Strauß
Tetrahedron, 35, 139-146 (1979)
- Automatic Estimation of Heats of Atomization
and Heats of Reaction
J. Gasteiger
Tetrahedron, 35, 1419-1426 (1979)
- Calculation of Heats
of Formation for Organic Radicals and
Cations
K. Rafeiner, J. Gasteiger
in: "Software Development in Chemistry 5"
J. Gmehling (Editor), Springer-Verlag, Heidelberg,
1991, pp. 69-75
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