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Autor:
Balažić, Denis, Duduković, Maja, Fegeš, Maja, Illeš, Maja, Jeličić, Ivana, Katulić, Zlatko, Kovaček, Damir, Ninčević, Antonela, Perić, Gordana, Putnik, Predrag, Urbanovski, Roman, Vazdar, Mario, Vlašić, Ignacija
In this work simple protocols are descibed in order to convert ab initio energies to accurate heats of formation for molecules containing carbon, hydrogen, oxygen, nitrogen, fluorine, chlorine, bromine, silicon, sulphur and phosphorus atoms. Protocol
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=57a035e5b1ae::998267811683bbb21bf93b0e3cfc04e4
https://www.bib.irb.hr/483625
https://www.bib.irb.hr/483625
