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undergraduate thesis
Model elektrostatskog međudjelovanja za račun energije u molekulskoj mehanici
Zagreb: University of Zagreb, Faculty of Electrical Engineering and Computing, 2023. urn:nbn:hr:168:611072
Juvančić, Jakov
University of Zagreb
Faculty of Electrical Engineering and Computing

Institutional repository: FER Repository

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Juvančić, J. (2023). Model elektrostatskog međudjelovanja za račun energije u molekulskoj mehanici (Undergraduate thesis). Zagreb: University of Zagreb, Faculty of Electrical Engineering and Computing. Retrieved from https://urn.nsk.hr/urn:nbn:hr:168:611072

Juvančić, Jakov. "Model elektrostatskog međudjelovanja za račun energije u molekulskoj mehanici." Undergraduate thesis, University of Zagreb, Faculty of Electrical Engineering and Computing, 2023. https://urn.nsk.hr/urn:nbn:hr:168:611072

Juvančić, Jakov. "Model elektrostatskog međudjelovanja za račun energije u molekulskoj mehanici." Undergraduate thesis, University of Zagreb, Faculty of Electrical Engineering and Computing, 2023. https://urn.nsk.hr/urn:nbn:hr:168:611072

Juvančić, J. (2023). 'Model elektrostatskog međudjelovanja za račun energije u molekulskoj mehanici', Undergraduate thesis, University of Zagreb, Faculty of Electrical Engineering and Computing, accessed 19 December 2024, https://urn.nsk.hr/urn:nbn:hr:168:611072

Juvančić J. Model elektrostatskog međudjelovanja za račun energije u molekulskoj mehanici [Undergraduate thesis]. Zagreb: University of Zagreb, Faculty of Electrical Engineering and Computing; 2023 [cited 2024 December 19] Available at: https://urn.nsk.hr/urn:nbn:hr:168:611072

J. Juvančić, "Model elektrostatskog međudjelovanja za račun energije u molekulskoj mehanici", Undergraduate thesis, University of Zagreb, Faculty of Electrical Engineering and Computing, Zagreb, 2023. Available at: https://urn.nsk.hr/urn:nbn:hr:168:611072

Metadata
TitleModel elektrostatskog međudjelovanja za račun energije u molekulskoj mehanici
Title (english)Electrostatic interaction model for molecular mechanics calculations
AuthorJakov Juvančić
MentorVjeran Gomzi (mentor)
Committee memberMario Matijević (član povjerenstva)
Committee memberSaša Ilijić (član povjerenstva)
Committee memberVjeran Gomzi (predsjednik povjerenstva)
GranterUniversity of Zagreb
Faculty of Electrical Engineering and Computing
Zagreb
Defense date and country2023-07-04, Croatia
Scientific / art field,
discipline and subdiscipline		TECHNICAL SCIENCES
Computing
Abstract
U ovom radu proučava se metoda izjednačavanja elektronegativnosti (EEM) i ACKS2 metoda za računanje energije u molekulskoj mehanici, te se provode na određenim molekulskim sustavima. Istražuje se teorijska pozadina i implementacija ovih metoda koristeći Python i relevantne biblioteke. Analiziraju se prednosti i nedostatci EEM i ACKS2 metoda, te se uspoređuju rezultati svake od metoda. Ovaj rad pruža temelj za daljnji razvoj i primjenu elektrostatskih modela u proučavanju molekula i materijala.
Abstract (english)
This thesis examines the electronegativity equalization method (EEM) and the ACKS2 method for calculating energy in molecular mechanics, applied to specific molecular systems. The theoretical background and implementation of these methods are explored using Python and relevant libraries. The advantages and limitations of the EEM and ACKS2 methods are analyzed, and the results of each method are compared. This thesis provides a foundation for further development and application of electrostatic models in the study of molecules and materials.
Keywords
Keywords (english)
Languagecroatian
URN:NBNurn:nbn:hr:168:611072
Study programmeTitle: Computing
Study programme type: university
Study level: undergraduate
Academic / professional title: sveučilišni/a prvostupnik/ prvostupnica (baccalaureus/baccalaurea) inženjer/inženjerka računarstva (sveučilišni/a prvostupnik/ prvostupnica (baccalaureus/baccalaurea) inženjer/inženjerka računarstva)
Type of resourceText
File originBorn digital
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Created on2023-10-11 09:14:09