_version_ 1809901055358533632
annif_keywords_txtF_mv density functional theory quantum chemistry molecules structure (properties) forecasts
annif_uris_txtF_mv http://www.yso.fi/onto/yso/p28852 http://www.yso.fi/onto/yso/p19301 http://www.yso.fi/onto/yso/p2984 http://www.yso.fi/onto/yso/p7302 http://www.yso.fi/onto/yso/p3297
author Toivola, Juho
author2 Matemaattis-luonnontieteellinen tiedekunta Faculty of Sciences Kemian laitos Department of Chemistry Jyväskylän yliopisto University of Jyväskylä Nanotiede Nanoscience 4033
author_facet Toivola, Juho Matemaattis-luonnontieteellinen tiedekunta Faculty of Sciences Kemian laitos Department of Chemistry Jyväskylän yliopisto University of Jyväskylä Nanotiede Nanoscience 4033 Toivola, Juho
author_sort Toivola, Juho
building Jyväskylän yliopisto JYX-julkaisuarkisto
datasource_str_mv jyx
department_txtF Kemian laitos
faculty_txtF Matemaattis-luonnontieteellinen tiedekunta
first_indexed 2021-08-02T20:01:32Z
format Pro gradu
format_ext_str_mv Opinnäyte Pro gradu
fullrecord <?xml version="1.0"?> <qualifieddc schemaLocation="http://purl.org/dc/terms/ http://dublincore.org/schemas/xmls/qdc/2006/01/06/dcterms.xsd http://purl.org/dc/elements/1.1/ http://dublincore.org/schemas/xmls/qdc/2006/01/06/dc.xsd"><title>Predicting exchange coupling in molecular systems with Density Functional Theory</title><creator>Toivola, Juho</creator><contributor type="tiedekunta" lang="fi">Matemaattis-luonnontieteellinen tiedekunta</contributor><contributor type="tiedekunta" lang="en">Faculty of Sciences</contributor><contributor type="laitos" lang="fi">Kemian laitos</contributor><contributor type="laitos" lang="en">Department of Chemistry</contributor><contributor type="yliopisto" lang="fi">Jyv&#xE4;skyl&#xE4;n yliopisto</contributor><contributor type="yliopisto" lang="en">University of Jyv&#xE4;skyl&#xE4;</contributor><contributor type="oppiaine" lang="fi">Nanotiede</contributor><contributor type="oppiaine" lang="en">Nanoscience</contributor><contributor type="oppiainekoodi">4033</contributor><subject type="yso">kvanttikemia</subject><subject type="yso">tiheysfunktionaaliteoria</subject><subject type="yso">magneettiset ominaisuudet</subject><subject type="yso">molekyylit</subject><subject type="yso">laskennallinen kemia</subject><subject type="yso">quantum chemistry</subject><subject type="yso">density functional theory</subject><subject type="yso">magnetic properties</subject><subject type="yso">molecules</subject><subject type="yso">computational chemistry</subject><available>2021-08-02T06:05:50Z</available><issued>2021</issued><type lang="fi">Pro gradu -tutkielma</type><type lang="en">Master&#x2019;s thesis</type><identifier type="uri">https://jyx.jyu.fi/handle/123456789/77236</identifier><identifier type="urn">URN:NBN:fi:jyu-202108024404</identifier><language type="iso">en</language><rights type="copyright" lang="fi">Julkaisu on tekij&#xE4;noikeuss&#xE4;&#xE4;nn&#xF6;sten alainen. Teosta voi lukea ja tulostaa henkil&#xF6;kohtaista k&#xE4;ytt&#xF6;&#xE4; varten. K&#xE4;ytt&#xF6; kaupallisiin tarkoituksiin on kielletty.</rights><rights type="copyright" lang="en">This publication is copyrighted. You may download, display and print it for Your own personal use. Commercial use is prohibited.</rights><rights type="accesslevel">restrictedAccess</rights><rights type="accessrights" lang="fi">Tekij&#xE4; ei ole antanut lupaa avoimeen julkaisuun, joten aineisto on luettavissa vain Jyv&#xE4;skyl&#xE4;n yliopiston kirjaston &lt;a href="https://kirjasto.jyu.fi/kokoelmat/arkistotyoasema"&gt;arkistoty&#xF6;asemalta&lt;/a&gt;.</rights><rights type="accessrights" lang="en">&lt;br&gt;&lt;br&gt;The author has not given permission to make the work publicly available electronically. Therefore the material can be read only at the archival &lt;a href="https://kirjasto.jyu.fi/collections/archival-workstation"&gt;workstation&lt;/a&gt; at Jyv&#xE4;skyl&#xE4; University Library reserved for the use of archival materials.</rights><permaddress type="urn">http://www.urn.fi/URN:NBN:fi:jyu-202108024404</permaddress><file bundle="ORIGINAL" href="https://jyx.jyu.fi/bitstream/123456789/77236/1/URN%3aNBN%3afi%3ajyu-202108024404.pdf" name="URN:NBN:fi:jyu-202108024404.pdf" type="application/pdf" length="897856" sequence="1"/><file bundle="ORIGINAL" href="https://jyx.jyu.fi/bitstream/123456789/77236/3/juho_toivola_masters_thesis_experimental.pdf" name="juho_toivola_masters_thesis_experimental.pdf" type="application/pdf" length="1766598" sequence="3"/><recordID>123456789_77236</recordID></qualifieddc>
id jyx.123456789_77236
language eng
last_indexed 2024-09-03T10:51:07Z
main_date 2021-01-01T00:00:00Z
main_date_str 2021
online_boolean 1
online_urls_str_mv {"url":"https:\/\/jyx.jyu.fi\/bitstream\/123456789\/77236\/1\/URN%3aNBN%3afi%3ajyu-202108024404.pdf","text":"URN:NBN:fi:jyu-202108024404.pdf","source":"jyx","mediaType":"application\/pdf"} {"url":"https:\/\/jyx.jyu.fi\/bitstream\/123456789\/77236\/3\/juho_toivola_masters_thesis_experimental.pdf","text":"juho_toivola_masters_thesis_experimental.pdf","source":"jyx","mediaType":"application\/pdf"}
publication_first_indexed 2021-08-02T20:01:32Z
publishDate 2021
record_format qdc
source_str_mv jyx
spellingShingle Toivola, Juho Predicting exchange coupling in molecular systems with Density Functional Theory kvanttikemia tiheysfunktionaaliteoria magneettiset ominaisuudet molekyylit laskennallinen kemia quantum chemistry density functional theory magnetic properties molecules computational chemistry
subject_txtF Nanotiede
thumbnail https://jyu.finna.fi/Cover/Show?source=Solr&id=jyx.123456789_77236&index=0&size=large
title Predicting exchange coupling in molecular systems with Density Functional Theory
title_full Predicting exchange coupling in molecular systems with Density Functional Theory
title_fullStr Predicting exchange coupling in molecular systems with Density Functional Theory Predicting exchange coupling in molecular systems with Density Functional Theory
title_full_unstemmed Predicting exchange coupling in molecular systems with Density Functional Theory Predicting exchange coupling in molecular systems with Density Functional Theory
title_short Predicting exchange coupling in molecular systems with Density Functional Theory
title_sort predicting exchange coupling in molecular systems with density functional theory
title_txtP Predicting exchange coupling in molecular systems with Density Functional Theory
topic kvanttikemia tiheysfunktionaaliteoria magneettiset ominaisuudet molekyylit laskennallinen kemia quantum chemistry density functional theory magnetic properties molecules computational chemistry
topic_facet computational chemistry density functional theory kvanttikemia laskennallinen kemia magneettiset ominaisuudet magnetic properties molecules molekyylit quantum chemistry tiheysfunktionaaliteoria
url https://jyx.jyu.fi/handle/123456789/77236 http://www.urn.fi/URN:NBN:fi:jyu-202108024404
work_keys_str_mv AT toivolajuho predictingexchangecouplinginmolecularsystemswithdensityfunctionaltheory