{"id":6755,"date":"2013-02-07T00:47:20","date_gmt":"2013-02-06T22:47:20","guid":{"rendered":"http:\/\/www.ehu.es\/chemistry\/theory\/?p=6755"},"modified":"2022-02-09T09:45:23","modified_gmt":"2022-02-09T08:45:23","slug":"praktikak","status":"publish","type":"post","link":"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/praktikak\/","title":{"rendered":"Praktikak"},"content":{"rendered":"<p>Hemen laborategi zein ordenadore praktiketan eginen ditugun praktiken txostenak eta fitxeroak daude<\/p>\n<p><!--more--><\/p>\n<p style=\"text-align: center;\"><strong>LABORATEGIAN<\/strong><\/p>\n<ul>\n<li>Txostena: <a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/Praktikak.pdf\">hemen<\/a><\/li>\n<li>CO-ren espektroaren irudia: <a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/CO-espektro-esp.pdf\">hemen<\/a><\/li>\n<li>CO-ren espektroaren datuak: <a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/CO-CO2-pikoak.pdf\">hemen<\/a><\/li>\n<li>UM absortzioak: <a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/absorciones.pdf\">hemen<\/a><\/li>\n<\/ul>\n<p style=\"text-align: center;\"><strong>ORDENADOREETAN<\/strong><\/p>\n<p style=\"text-align: left;\"><strong>Txostena<\/strong>: <a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/Txostena_ordenadoreak.pdf\">hemen<\/a><\/p>\n<p style=\"text-align: left;\"><strong>Lana egiteko irudiak hemendik jeisten ahal dituzue<\/strong><\/p>\n<ul>\n<li><strong>Espektro errotobibrazionalak<\/strong>\n<ul>\n<li>B, D, v, x, alfa kontutan hartuta (erreferentzia): <a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/osoa.eps\">eps<\/a>, <a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/osoa.jpg\">jpg<\/a><\/li>\n<li>D=0 jarrita eta erreferentziarekin konparatuta: <a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/no-d.eps\">eps<\/a>, <a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/no-d.jpg\">jpg<\/a><\/li>\n<li>xe=0 jarrita eta erreferentziarekin konparatuta: <a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/no-xe.eps\">eps<\/a>, <a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/no-xe.jpg\">jpg<\/a><\/li>\n<li>alfa=0 jarrita eta erreferentziarekin konparatuta: <a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/no-alfa.eps\">eps<\/a>, <a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/no-alfa.jpg\">jpg<\/a><\/li>\n<\/ul>\n<\/li>\n<li><strong>UM espektroak azaltzeko:<\/strong>\n<ul>\n<li>Azetonaren irudia: <a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/azetona.eps\">eps<\/a>, <a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/azetona.jpg\">jpg<\/a><\/li>\n<li>Azetonaren HOMO-a: <a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/azetona-HOMO.ps\">eps<\/a>, <a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetona-HOMO.jpg\">jpg<\/a><\/li>\n<li>Azetonaren LUMO-a: <a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/azetona-LUMO.ps\">eps<\/a>, <a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetona-LUMO.jpg\">jpg<\/a><\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p style=\"text-align: center;\"><strong>Kalkuluetarako fitxerorak<\/strong><\/p>\n<p style=\"text-align: left;\"><strong>2. Kapitulua<\/strong><\/p>\n<p style=\"text-align: left;\"><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/o-b3lyp-acct.com\">o-b3lyp-acct.com<\/a><\/p>\n<p style=\"text-align: left;\"><strong>3. Kapitulua<\/strong><\/p>\n<ul>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/co-kurba.com\">co-kurba.com<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/co-kurba.log\">co-kurba.log<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/co_kurba.dat\">co_kurba.dat<\/a><\/li>\n<\/ul>\n<p style=\"text-align: left;\"><strong>4. eta 5. kapituluak<\/strong><\/p>\n<p><strong>CO:&nbsp;<\/strong><\/p>\n<ul>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/co-opt-b3lyp-acct.com\">co-opt-b3lyp-acct.com<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/co-freq-b3lyp-acct.com\">co-freq-b3lyp-acct.com<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/co-b3lyp-acct.log\">co-b3lyp-acct.log<\/a><\/li>\n<\/ul>\n<p><strong>CO2:<\/strong><\/p>\n<ul>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/co2-b3lyp-acct.com\">co2-b3lyp-acct.com<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/co2-b3lyp-acct.log\">co2-b3lyp-acct.log<\/a><\/li>\n<\/ul>\n<p><strong>6. Kapitulua<\/strong><\/p>\n<p>Simulazioak egiteko programa <a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/TheoEspRotBib.py\">hemen<\/a><\/p>\n<p><strong>7. Kapitulua: <\/strong><\/p>\n<p><strong>Azetonaren absortzioa disolbatzaile desberdinetan:<\/strong><\/p>\n<p>&#8211; Azetonitrilotan<\/p>\n<ul>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetona-b3lyp-acct-azetonitrilo.com\">azetona-b3lyp-acct-azetonitrilo.com<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetona-b3lyp-acct-azetonitrilo.log\">azetona-b3lyp-acct-azetonitrilo.log<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetona-b3lyp-acct-azetonitrilo-tddft.com\">azetona-b3lyp-acct-azetonitrilo-tddft.com<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetona-b3lyp-acct-azetonitrilo-tddft.log\">azetona-b3lyp-acct-azetonitrilo-tddft.log<\/a><\/li>\n<\/ul>\n<p>&#8211; Etanoletan<\/p>\n<ul>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetona-b3lyp-acct-etanol.com\">azetona-b3lyp-acct-etanol.com<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetona-b3lyp-acct-etanol.log\">azetona-b3lyp-acct-etanol.log<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetona-b3lyp-acct-etanol-tddft.com\">azetona-b3lyp-acct-etanol-tddft.com<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetona-b3lyp-acct-etanol-tddft.log\">azetona-b3lyp-acct-etanol-tddft.log<\/a><\/li>\n<\/ul>\n<p>&#8211; Gas fasean<\/p>\n<ul>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetona-b3lyp-acct-gas.com\">azetona-b3lyp-acct-gas.com<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetona-b3lyp-acct-gas.log\">azetona-b3lyp-acct-gas.log<\/a><\/li>\n<li>azetona-b3lyp-acct-gas-tddft.com<\/li>\n<li>azetona-b3lyp-acct-gas-tddft.log<\/li>\n<\/ul>\n<p>&#8211; Kloroformotan<\/p>\n<ul>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetona-b3lyp-acct-kloroformo.com\">azetona-b3lyp-acct-kloroformo.com<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetona-b3lyp-acct-kloroformo.log\">azetona-b3lyp-acct-kloroformo.log<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetona-b3lyp-acct-kloroformo-tddft.com\">azetona-b3lyp-acct-kloroformo-tddft.com<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetona-b3lyp-acct-kloroformo-tddft.log\">azetona-b3lyp-acct-kloroformo-tddft.log<\/a><\/li>\n<\/ul>\n<p>&#8211; Uretan<\/p>\n<ul>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetona-b3lyp-acct-ura.com\">azetona-b3lyp-acct-ura.com<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetona-b3lyp-acct-ura.log\">azetona-b3lyp-acct-ura.log<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetona-b3lyp-acct-ura-tddft.com\">azetona-b3lyp-acct-ura-tddft.com<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetona-b3lyp-acct-ura-tddft.log\">azetona-b3lyp-acct-ura-tddft.log<\/a><\/li>\n<\/ul>\n<p>&#8211; Ziklohexanotan<\/p>\n<ul>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetona-b3lyp-acct-ziklohexano.com\">azetona-b3lyp-acct-ziklohexano.com<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetona-b3lyp-acct-ziklohexano.log\">azetona-b3lyp-acct-ziklohexano.log<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetona-b3lyp-acct-ziklohexano-tddft.com\">azetona-b3lyp-acct-ziklohexano-tddft.com<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetona-b3lyp-acct-ziklohexano-tddft.log\">azetona-b3lyp-acct-ziklohexano-tddft.log<\/a><\/li>\n<\/ul>\n<p><strong>Azetonaren deribatuen absortzioa Ziklohexanotan:<\/strong><\/p>\n<p>&#8211; Azetilo-kloruroa<\/p>\n<ul>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetilo-kloruroa-b3lyp-acct.com\">azetilo-kloruroa-b3lyp-acct.com<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetilo-kloruroa-b3lyp-acct.log\">azetilo-kloruroa-b3lyp-acct.log<\/a><\/li>\n<\/ul>\n<p>&#8211; Azetofenona<\/p>\n<ul>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetofenona-b3lyp-acct.com\">azetofenona-b3lyp-acct.com<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azetofenona-b3lyp-acct.log\">azetofenona-b3lyp-acct.log<\/a><\/li>\n<\/ul>\n<p>&#8211; Azido azetikoa<\/p>\n<ul>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azido-azetikoa-b3lyp-acct.com\">azido-azetikoa-b3lyp-acct.com<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/azido-azetikoa-b3lyp-acct.log\">azido-azetikoa-b3lyp-acct.log<\/a><\/li>\n<\/ul>\n<p>&#8211; Metiletilzetona<\/p>\n<ul>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/metiletilzetona-b3lyp-acct.com\">metiletilzetona-b3lyp-acct.com<\/a><\/li>\n<li><a href=\"http:\/\/www.ehu.es\/chemistry\/theory\/Files\/Praktikak_ordenadorea\/metiletilzetona-b3lyp-acct.log\">metiletilzetona-b3lyp-acct.log<\/a><\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Hemen laborategi zein ordenadore praktiketan eginen ditugun praktiken txostenak eta fitxeroak daude<\/p>\n","protected":false},"author":20,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"footnotes":""},"categories":[78],"tags":[],"class_list":["post-6755","post","type-post","status-publish","format-standard","hentry","category-5_kt-seminars"],"blocksy_meta":[],"acf":[],"_links":{"self":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/6755","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/users\/20"}],"replies":[{"embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/comments?post=6755"}],"version-history":[{"count":27,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/6755\/revisions"}],"predecessor-version":[{"id":15593,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/6755\/revisions\/15593"}],"wp:attachment":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/media?parent=6755"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/categories?post=6755"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/tags?post=6755"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}