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pro vyhledávání: '"Katulić, Zlatko"'
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
Autor:
Katulić, Zlatko
U radu su predstavljeni jednostavni modeli za proračun entalpija nastajanja molekula koje posjeduju atome ugljika, vodika i kisika. Modelni sistem je razvijen i testiran na skupu od 54 molekule s C, H, O atomima uključujući alkohole, aldehide, ket
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=57a035e5b1ae::b573389179fdd6ac572d807a2ceefe12
https://www.bib.irb.hr/324164
https://www.bib.irb.hr/324164