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undergraduate thesis
Kvantno kemijski izračun jakosti vodikovih veza u molekuli DNK
Zagreb: University of Zagreb, Faculty of Chemical Engineering and Technology, 2020. urn:nbn:hr:149:357781
Antolović, Ana
University of Zagreb
Faculty of Chemical Engineering and Technology

Institutional repository: Repository of Faculty of Chemical Engineering and Technology University of Zagreb

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Antolović, A. (2020). Kvantno kemijski izračun jakosti vodikovih veza u molekuli DNK (Undergraduate thesis). Zagreb: University of Zagreb, Faculty of Chemical Engineering and Technology. Retrieved from https://urn.nsk.hr/urn:nbn:hr:149:357781

Antolović, Ana. "Kvantno kemijski izračun jakosti vodikovih veza u molekuli DNK." Undergraduate thesis, University of Zagreb, Faculty of Chemical Engineering and Technology, 2020. https://urn.nsk.hr/urn:nbn:hr:149:357781

Antolović, Ana. "Kvantno kemijski izračun jakosti vodikovih veza u molekuli DNK." Undergraduate thesis, University of Zagreb, Faculty of Chemical Engineering and Technology, 2020. https://urn.nsk.hr/urn:nbn:hr:149:357781

Antolović, A. (2020). 'Kvantno kemijski izračun jakosti vodikovih veza u molekuli DNK', Undergraduate thesis, University of Zagreb, Faculty of Chemical Engineering and Technology, accessed 18 November 2024, https://urn.nsk.hr/urn:nbn:hr:149:357781

Antolović A. Kvantno kemijski izračun jakosti vodikovih veza u molekuli DNK [Undergraduate thesis]. Zagreb: University of Zagreb, Faculty of Chemical Engineering and Technology; 2020 [cited 2024 November 18] Available at: https://urn.nsk.hr/urn:nbn:hr:149:357781

A. Antolović, "Kvantno kemijski izračun jakosti vodikovih veza u molekuli DNK", Undergraduate thesis, University of Zagreb, Faculty of Chemical Engineering and Technology, Zagreb, 2020. Available at: https://urn.nsk.hr/urn:nbn:hr:149:357781

Metadata
TitleKvantno kemijski izračun jakosti vodikovih veza u molekuli DNK
Title (english)Quantumchemical calculations of hydrogen bonds strengths in DNA molecule
AuthorAna Antolović
MentorVladimir Dananić (mentor)
Committee memberVladimir Dananić (predsjednik povjerenstva)
Committee memberDajana Kučić Grgić (član povjerenstva)
Committee memberIva Movre Šapić (član povjerenstva)
GranterUniversity of Zagreb
Faculty of Chemical Engineering and Technology
Zagreb
Defense date and country2020-09-23, Croatia
Scientific / art field,
discipline and subdiscipline		NATURAL SCIENCES
Chemistry
Abstract
Svrha ovoga rada je prikazati kako se mogu primijeniti kvantnokemijski izračuni za određivanje jakosti vodikove veze u molekuli DNK. Ovo međudjelovanje ključno je za normalan i ispravan rad samih stanica, odnosno samog života. Izračuni su izvršeni u programskom paketu “GAUSSIAN 09” uporabom teorije funkcionala gustoće (DFT). Izvršeni izračuni daju dobar opći odnos u energijama reakcija, ali pokazuju znatna odstupanja od eksperimentalnih vrijednosti. Uzrok takvih odstupanja leži u nemogućnosti simulacije stvarnog okruženja u kojem se odvijaju reakcije.
Abstract (english)
The purpose of this thesis is to show how quantum chemical calculations can be applied to determine the strength of a hydrogen bond in a DNA molecule. This interaction is crucial for the normal and proper functioning of the cells themselves, or life itself. The calculations were performed in the software package “GAUSSIAN 09” using Density functional theory (DFT). Performed calculations give a good general relation in the energy reaction, but show significant deviations from the experimental values. The cause of such deviations lies in the impossibility of simulating the real environment in which the reactions take place.
Keywords
Keywords (english)
Languagecroatian
URN:NBNurn:nbn:hr:149:357781
Study programmeTitle: Environmental Engineering - Undergraduate study
Study programme type: university
Study level: undergraduate
Academic / professional title: sveučilišni/a prvostupnik/ prvostupnica (baccalaureus/baccalaurea) inženjer/inženjerka ekoinženjerstva (sveučilišni/a prvostupnik/ prvostupnica (baccalaureus/baccalaurea) inženjer/inženjerka ekoinženjerstva)
Type of resourceText
File originBorn digital
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Created on2023-05-02 08:25:00