{"id":2414,"date":"2024-04-15T16:31:30","date_gmt":"2024-04-15T14:31:30","guid":{"rendered":"https:\/\/teneochem.pl\/?p=2414"},"modified":"2025-01-31T16:58:15","modified_gmt":"2025-01-31T16:58:15","slug":"dodatek-strukturalny-002","status":"publish","type":"post","link":"https:\/\/teneochem.pl\/index.php\/2024\/04\/15\/dodatek-strukturalny-002\/","title":{"rendered":"Dodatek strukturalny 002"},"content":{"rendered":"\n<p>Podczas pr\u00f3b skonstruowania nowych cz\u0105steczek zdarza\u0142y mi si\u0119 momenty, \u017ce wyobra\u017ania daleko wybiega\u0142a poza utarte ramy. Tak by\u0142o w wypadku ni\u017cej przedstawionej cz\u0105steczki alotropu w\u0119gla C<sub>72<\/sub>. \u0141a\u0144cuchy w\u0119glowe tworz\u0105 siatk\u0119 po\u0142\u0105cze\u0144, w kt\u00f3rych mostkowe atomy w\u0119gla s\u0105 zwi\u0105zane za pomoc\u0105 dwuw\u0119glowych fragment\u00f3w =C=C= lub -C\u2261C-.  Cz\u0105steczka zosta\u0142a zoptymalizowana na poziomie DFT (Orca 4.2.1\/ B3LYP\/ def2-SVP\/ hess-plus):<\/p>\n\n\n\n<div style=\"height: 300px; width: 300px; position: relative;\" class='viewer_3Dmoljs' data-href='https:\/\/teneochem.pl\/struct\/blog\/mixeneB3ov-dodane-wiazania.sdf' data-backgroundcolor='#9966FF' data-style='stick:radius~0.2;sphere:radius~0.4'><\/div>\n\n\n\n<p>Trwa\u0142o\u015b\u0107 takiej struktury nale\u017ca\u0142oby sprawdzi\u0107 za pomoc\u0105 metod dynamiki molekularnej, ale tego typu obliczenia le\u017c\u0105 poza moim zasi\u0119giem.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Podczas pr\u00f3b skonstruowania nowych cz\u0105steczek zdarza\u0142y mi si\u0119 momenty, \u017ce wyobra\u017ania daleko wybiega\u0142a poza utarte ramy. Tak by\u0142o w wypadku ni\u017cej przedstawionej cz\u0105steczki alotropu w\u0119gla C72. \u0141a\u0144cuchy w\u0119glowe tworz\u0105 siatk\u0119 po\u0142\u0105cze\u0144, w kt\u00f3rych mostkowe atomy w\u0119gla s\u0105 zwi\u0105zane za pomoc\u0105 dwuw\u0119glowych fragment\u00f3w =C=C= lub -C\u2261C-. Cz\u0105steczka zosta\u0142a zoptymalizowana na poziomie DFT (Orca 4.2.1\/ B3LYP\/ def2-SVP\/ [&hellip;]<\/p>\n","protected":false},"author":2,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[2],"tags":[],"class_list":["post-2414","post","type-post","status-publish","format-standard","hentry","category-chem"],"_links":{"self":[{"href":"https:\/\/teneochem.pl\/index.php\/wp-json\/wp\/v2\/posts\/2414","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/teneochem.pl\/index.php\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/teneochem.pl\/index.php\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/teneochem.pl\/index.php\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/teneochem.pl\/index.php\/wp-json\/wp\/v2\/comments?post=2414"}],"version-history":[{"count":2,"href":"https:\/\/teneochem.pl\/index.php\/wp-json\/wp\/v2\/posts\/2414\/revisions"}],"predecessor-version":[{"id":3753,"href":"https:\/\/teneochem.pl\/index.php\/wp-json\/wp\/v2\/posts\/2414\/revisions\/3753"}],"wp:attachment":[{"href":"https:\/\/teneochem.pl\/index.php\/wp-json\/wp\/v2\/media?parent=2414"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/teneochem.pl\/index.php\/wp-json\/wp\/v2\/categories?post=2414"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/teneochem.pl\/index.php\/wp-json\/wp\/v2\/tags?post=2414"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}