caa a22 4500 44587533X CHVBK 20180317145526.0 cr unu---uuuuu 170323e20110201xx s 000 0 eng 10.1007/s10593-011-0668-5 doi (NATIONALLICENCE)springer-10.1007/s10593-011-0668-5 Zauer E. Volgograd State Technical University, 400131, Volgograd, Russia aut Enthalpy of formation of thiophene derivatives [Elektronische Daten] [E. Zauer] The enthalpy of formation in the gas phase has been calculated for 21 carbonyl compounds of the thiophene series with the aid of the PM3, MINDO, AM1, and MNDO semiempirical quantum-chemical methods. Comparison of them with experimental data showed that the best linear correlation was achieved with the PM3 method. The latter in conjunction with a developed linear regression equation has been used to predict the enthalpy of formation of 22 carboxylic acids and ketones of the thiophene series. Springer Science+Business Media, Inc., 2011 thiophene derivatives nationallicence semiempirical quantum-chemical methods of calculation nationallicence heat of formation nationallicence Chemistry of Heterocyclic Compounds Springer US; http://www.springer-ny.com 46/11(2011-02-01), 1325-1329 0009-3122 46:11<1325 2011 46 10593 https://doi.org/10.1007/s10593-011-0668-5 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10593-011-0668-5 text/html Onlinezugriff via DOI NATIONALLICENCE 100 1- Zauer E. Volgograd State Technical University, 400131, Volgograd, Russia aut NATIONALLICENCE 773 0- Chemistry of Heterocyclic Compounds Springer US; http://www.springer-ny.com 46/11(2011-02-01), 1325-1329 0009-3122 46:11<1325 2011 46 10593 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer