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undergraduate thesis
Kvantnokemijski izračuni međudjelovanja srebra i 2-amino-2-metil-1-propanola
Zagreb: University of Zagreb, Faculty of Chemical Engineering and Technology, 2020. urn:nbn:hr:149:286492
Abramović, Ivana
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

Abramović, I. (2020). Kvantnokemijski izračuni međudjelovanja srebra i 2-amino-2-metil-1-propanola (Undergraduate thesis). Zagreb: University of Zagreb, Faculty of Chemical Engineering and Technology. Retrieved from https://urn.nsk.hr/urn:nbn:hr:149:286492

Abramović, Ivana. "Kvantnokemijski izračuni međudjelovanja srebra i 2-amino-2-metil-1-propanola." Undergraduate thesis, University of Zagreb, Faculty of Chemical Engineering and Technology, 2020. https://urn.nsk.hr/urn:nbn:hr:149:286492

Abramović, Ivana. "Kvantnokemijski izračuni međudjelovanja srebra i 2-amino-2-metil-1-propanola." Undergraduate thesis, University of Zagreb, Faculty of Chemical Engineering and Technology, 2020. https://urn.nsk.hr/urn:nbn:hr:149:286492

Abramović, I. (2020). 'Kvantnokemijski izračuni međudjelovanja srebra i 2-amino-2-metil-1-propanola', Undergraduate thesis, University of Zagreb, Faculty of Chemical Engineering and Technology, accessed 26 December 2024, https://urn.nsk.hr/urn:nbn:hr:149:286492

Abramović I. Kvantnokemijski izračuni međudjelovanja srebra i 2-amino-2-metil-1-propanola [Undergraduate thesis]. Zagreb: University of Zagreb, Faculty of Chemical Engineering and Technology; 2020 [cited 2024 December 26] Available at: https://urn.nsk.hr/urn:nbn:hr:149:286492

I. Abramović, "Kvantnokemijski izračuni međudjelovanja srebra i 2-amino-2-metil-1-propanola", Undergraduate thesis, University of Zagreb, Faculty of Chemical Engineering and Technology, Zagreb, 2020. Available at: https://urn.nsk.hr/urn:nbn:hr:149:286492

Metadata
TitleKvantnokemijski izračuni međudjelovanja srebra i 2-amino-2-metil-1-propanola
Title (english)Quantumchemical calculations of interactions of silver and 2-amino-2-methyl-1-propanol
AuthorIvana Abramović
MentorVladimir Dananić (mentor)
Committee memberVladimir Dananić (predsjednik povjerenstva)
Committee memberAndrej Vidak (član povjerenstva)
Committee memberEmi Govorčin Bajsić (član povjerenstva)
GranterUniversity of Zagreb
Faculty of Chemical Engineering and Technology
Zagreb
Defense date and country2020-09-22, Croatia
Scientific / art field,
discipline and subdiscipline		NATURAL SCIENCES
Chemistry
Abstract
Kvantnokemijskim izračunima određena je jačina kemijske veze između srebra i 2-amino-2-metil-1-propanola. Putem izračuna potvrđena je njihova stabilnost. Kompleksi srebra s organskim molekulama koriste se u proizvodnji metalnodekompozicijskih tinta za elektroničke pločice. Veza i interakcije između srebra i organske molekule ključna je za pravilno nanošenje tinte na površinu pločice. Izračuni su izvršeni u programskom paketu „GAUSSIAN 09“ . Koristili smo teoriju funkcionala gustoće čestica (DFT) i model B3LYP. Predstavljena su osnovna svojstva srebra i 2-amino-2-metil-1-propanola. Opisane su osnovne teorijske metode računalne kemije Hartree-Fock i teorija funkcionala gustoće čestica (DFT).
Abstract (english)
Quantum chemical calculations were used to determine the strenght of chemical bond between silver and 2-amino-2-metil-1-propanol. Their stability was confirmed by calculations. Complexes of silver with organic molecules are used in the production of metal-decomposition inks for electronic boards. The bond and interaction between silver and the organic molecule is crucial for the proper application of ink to the tile surface. The calculations were performed in software package „GAUSSIAN 09“ using the Density functional theory (DFT) model B3LYP. In this thesis the basic properties of silver and 2-amino-2-metil-1-propanol are presented. The basic theoretical models of computational chemistry Hartree-Fock and DFT are described.
Keywords
Keywords (english)
Languagecroatian
URN:NBNurn:nbn:hr:149:286492
Study programmeTitle: Materials Science and Engineering - Undergraduate study
Study programme type: university
Study level: undergraduate
Academic / professional title: sveučilišni/a prvostupnik/ prvostupnica (baccalaureus/baccalaurea) inženjer/inženjerka kemijskog inženjerstva (sveučilišni/a prvostupnik/ prvostupnica (baccalaureus/baccalaurea) inženjer/inženjerka kemijskog inženjerstva)
Type of resourceText
File originBorn digital
Access conditionsAccess restricted to students and staff of home institution
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Created on2023-05-02 07:42:32