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undergraduate thesis
Kvantnokemijski izračun međudjelovanja adenozin trifosfata s vodom
Zagreb: University of Zagreb, Faculty of Chemical Engineering and Technology, 2016. urn:nbn:hr:149:716574
Vujević, Lucija
University of Zagreb
Faculty of Chemical Engineering and Technology

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

Cite this document

Vujević, L. (2016). Kvantnokemijski izračun međudjelovanja adenozin trifosfata s vodom (Undergraduate thesis). Zagreb: University of Zagreb, Faculty of Chemical Engineering and Technology. Retrieved from https://urn.nsk.hr/urn:nbn:hr:149:716574

Vujević, Lucija. "Kvantnokemijski izračun međudjelovanja adenozin trifosfata s vodom." Undergraduate thesis, University of Zagreb, Faculty of Chemical Engineering and Technology, 2016. https://urn.nsk.hr/urn:nbn:hr:149:716574

Vujević, Lucija. "Kvantnokemijski izračun međudjelovanja adenozin trifosfata s vodom." Undergraduate thesis, University of Zagreb, Faculty of Chemical Engineering and Technology, 2016. https://urn.nsk.hr/urn:nbn:hr:149:716574

Vujević, L. (2016). 'Kvantnokemijski izračun međudjelovanja adenozin trifosfata s vodom', Undergraduate thesis, University of Zagreb, Faculty of Chemical Engineering and Technology, accessed 25 November 2024, https://urn.nsk.hr/urn:nbn:hr:149:716574

Vujević L. Kvantnokemijski izračun međudjelovanja adenozin trifosfata s vodom [Undergraduate thesis]. Zagreb: University of Zagreb, Faculty of Chemical Engineering and Technology; 2016 [cited 2024 November 25] Available at: https://urn.nsk.hr/urn:nbn:hr:149:716574

L. Vujević, "Kvantnokemijski izračun međudjelovanja adenozin trifosfata s vodom", Undergraduate thesis, University of Zagreb, Faculty of Chemical Engineering and Technology, Zagreb, 2016. Available at: https://urn.nsk.hr/urn:nbn:hr:149:716574

Metadata
TitleKvantnokemijski izračun međudjelovanja adenozin trifosfata s vodom
Title (english)Quantum chemical calculation of interaction of adenosine triphosphate with water
AuthorLucija Vujević
MentorVladimir Dananić (mentor)
Committee memberVladimir Dananić (predsjednik povjerenstva)
Committee memberTatjana Gazivoda Kraljević (član povjerenstva)
Committee memberVanja Kosar (član povjerenstva)
GranterUniversity of Zagreb
Faculty of Chemical Engineering and Technology
Zagreb
Defense date and country2016-09-21, Croatia
Scientific / art field,
discipline and subdiscipline		NATURAL SCIENCES
Physics
Condensed Matter Physics
Abstract
Svrha ovoga rada je pokazati kako se mogu primjeniti kvantnokemijski izračuni za određivanje međudjelovanja adenozin trifosfata i vode. Ovo međudjelovanje ključno je za opis izmjene energije u biološkim sustavima. 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 the quantum chemical calculation can apply for interaction of adenosine triphosphate with water. This interaction is crucial to describe the exchange energy in biological systems. The calculations was performed in software package "GAUSSIAN 09" using the Density functional theory (DFT). Performed calculations give a good general relation in energy reaction, but they are showing significant deviations from the experimental values. Cause of this deviations is in inability of simulation the real environment in which the reactions take place.
Keywords
Keywords (english)
Languagecroatian
URN:NBNurn:nbn:hr:149:716574
Study programmeTitle: Applied Chemistry - Undergraduate study; specializations in: Environmental chemistry and green technologies, Advanced materials and technologies, Applied organic chemistry
Course: Advanced materials and technologies
Study programme type: university
Study level: undergraduate
Academic / professional title: sveučilišni/a prvostupnik/prvostupnica (baccalaureus/baccalaurea) primijenjene kemije (sveučilišni/a prvostupnik/prvostupnica (baccalaureus/baccalaurea) primijenjene kemije)
Type of resourceText
File originBorn digital
Access conditionsOpen access
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Created on2018-02-13 09:41:42