New approaches to the development of high-performance hydrocarbon propellants
An approach to express screening of promising hydrocarbon propellants, based on the calculation of the specific impulse of an engine from the results of quantum-chemical calculation of their heats of combustion, was suggested. The approach ensures high accuracy irrespective of the composition and structure of the compounds under consideration. Polycyclic and framework hydrocarbons with small rings were suggested as promising propellants.
Resonance Energy Calculation; the MM2ERW Force Field
The additivity of the thermochemical conjugation energy in acyclic systems allows one to extend force-field calculations to conjugated ? systems without embarking on quantum-mechanical methods.The approach fails with cyclic delocalized systems, where resonance effects become important.Here the method provides the reference value needed to calculate resonance energies.Key Words: Calculations, force-field/ Resonance energy/ Heats of hydrogenation/ Homoaromaticity
Roth, Wolfgang R.,Adamczak, Oliver,Breuckmann, Rolf,Lennartz, Hans-Werner,Boese, Roland
p. 2499 - 2521
(2007/10/02)
REACTION OF DIAZOALKANES WITH UNSATURATED COMPOUNDS. COMMUNICATION 2. CYCLOPROPANATION OF OLEFINS BY DIAZOMETHANE IN THE PRESENCE OF PALLADIUM COMPOUNDS
-
Tomilov, Yu. V.,Bordakov, V. G.,Dolgii, I. E.,Nefedov, O. M.
p. 533 - 538
(2007/10/02)
More Articles about upstream products of 16782-44-8