{"id":32617,"date":"2026-02-25T09:02:07","date_gmt":"2026-02-25T00:02:07","guid":{"rendered":"https:\/\/blog.agentsoft.co.kr\/index.php\/2026\/02\/25\/32617\/"},"modified":"2026-02-25T09:02:07","modified_gmt":"2026-02-25T00:02:07","slug":"%ec%84%9c%ec%9a%b8%eb%8c%80%ed%95%99%ea%b5%90-%ed%99%94%ec%8b%a4-a-%ea%b3%84%ec%82%b0%ed%99%94%ed%95%99%ec%8b%a4%ec%8a%b5-%ea%b2%b0%ea%b3%bc%eb%b3%b4%ea%b3%a0%ec%84%9c","status":"publish","type":"post","link":"https:\/\/blog.agentsoft.co.kr\/index.php\/2026\/02\/25\/32617\/","title":{"rendered":"[\uc11c\uc6b8\ub300\ud559\uad50 \ud654\uc2e4 A+] \uacc4\uc0b0\ud654\ud559\uc2e4\uc2b5 \uacb0\uacfc\ubcf4\uace0\uc11c"},"content":{"rendered":"

<\/p>\n

\ubaa9\ucc28<\/strong><\/p>\n

1. [ Data & Results ]
\n 1) H2\uc640 He2 \ubd84\uc790\uc5d0 \ub300\ud55c \uacb0\ud569 \uae38\uc774 \ubc0f \uacb0\ud569 \uc5d0\ub108\uc9c0 \uacc4\uc0b0 \uacb0\uacfc
\n 2) H2\uc640 He2 \ubd84\uc790\uc758 \ud37c\ud150\uc15c \uc5d0\ub108\uc9c0 \uace1\uba74(PES) \uadf8\ub798\ud504
\n 3) H2\uc640 He2 \ubd84\uc790\uc758 MO \uc5d0\ub108\uc9c0 \uc900\uc704 \uadf8\ub9bc \ubc0f 3\ucc28\uc6d0 MO \ubaa8\uc591<\/p>\n

2. [ Discussion ]
\n 1) H2\uc640 He2 \ubd84\uc790\uc5d0 \ub300\ud55c \uacb0\ud569 \uae38\uc774 \ubc0f \uacb0\ud569 \uc5d0\ub108\uc9c0 \uacc4\uc0b0 \uacb0\uacfc\uc5d0 \ub300\ud55c \ubd84\uc11d
\n 2) H2\uc640 He2 \ubd84\uc790\uc758 \ud37c\ud150\uc15c \uc5d0\ub108\uc9c0 \uace1\uba74(PES) \uadf8\ub798\ud504\uc5d0 \ub300\ud55c \ub17c\uc758
\n 3) H2\uc640 He2 \ubd84\uc790\uc758 MO \uc5d0\ub108\uc9c0 \uc900\uc704 \uadf8\ub9bc \ubc0f 3\ucc28\uc6d0 MO \ubaa8\uc591\uc5d0 \ub300\ud55c \ubd84\uc11d<\/p>\n

3. [ Conclusion ] <\/p>\n

4. [ Assignment ]
\n 1) Hartree-Fock method\uc758 \ud55c\uacc4\uc5d0 \ub300\ud574 \uc124\uba85\ud558\uc5ec\ub77c.
\n 2) \u201c6-31G basis set"\uc5d0\uc11c 6-31G\uc758 \uac01\uac01\uc758 \uc758\ubbf8\uac00 \ubb34\uc5c7\uc778\uc9c0 \uc124\uba85\ud558\uc5ec\ub77c. \ub2e4\ub978 basis set\uc758 \uc608\uc2dc\ub97c \ud55c \uac00\uc9c0 \ub354 \ub4e4\uace0, \uac19\uc740 \ubc29\uc2dd\uc73c\ub85c \uc124\uba85\ud558\uc5ec\ub77c.<\/p>\n

5. [ Reference ]<\/p>\n

\ubcf8\ubb38\ub0b4\uc6a9<\/strong><\/p>\n

[ Data & Results ]
\n1. H2\uc640 He2 \ubd84\uc790\uc5d0 \ub300\ud55c \uacb0\ud569 \uae38\uc774 \ubc0f \uacb0\ud569 \uc5d0\ub108\uc9c0 \uacc4\uc0b0 \uacb0\uacfc
\nAvogadro, Gamess, \uadf8\ub9ac\uace0 wxMacmolplt \ud504\ub85c\uadf8\ub7a8\uc744 \uc0ac\uc6a9\ud558\uc5ec \uacc4\uc0b0\ud55c \uacb0\uacfc\ub294 \ub2e4\uc74c\uacfc \uac19\ub2e4.<\/p>\n

2. H2\uc640 He2 \ubd84\uc790\uc758 \ud37c\ud150\uc15c \uc5d0\ub108\uc9c0 \uace1\uba74(PES) \uadf8\ub798\ud504
\n\uacc4\uc0b0 \ubaa8\ub4dc\ub97c \u2018Equilibrium Geometry\u2019\uac00 \uc544\ub2cc \u2018Single Point Energy\u2019\ub85c \ub450\uace0, \uad6c\uc870 \ucd5c\uc801\ud654\ub97c \uc9c4\ud589\ud558\uc9c0 \uc54a\uc740 \uc0c1\ud0dc\uc5d0\uc11c \uacb0\ud569 \uae38\uc774\ub97c \ubc14\uafb8\uc5b4\uac00\uba70 \uac01\uac01\uc758 \uacbd\uc6b0\uc5d0 \ud37c\ud150\uc15c \uc5d0\ub108\uc9c0\ub97c \uad6c\ud558\uc600\ub2e4<\/p>\n

3. H2\uc640 He2 \ubd84\uc790\uc758 MO \uc5d0\ub108\uc9c0 \uc900\uc704 \uadf8\ub9bc \ubc0f 3\ucc28\uc6d0 MO \ubaa8\uc591
\n\uc67c\ucabd\uc740 \uc218\uc18c \ubd84\uc790, \uc624\ub978\ucabd\uc740 \ud5ec\ub968 \uc774\ud569\uccb4\uc758 3\ucc28\uc6d0 \ubd84\uc790 \uc624\ube44\ud0c8 \ubaa8\uc591\uc744 \ub098\ud0c0\ub0b8 \uac83\uc774\ub2e4.
\n\uac01\uac01 \uc218\uc18c \ubd84\uc790(H2)\uc640 \ud5ec\ub968 \uc774\ud569\uccb4(He2)\uc758 Molecular Orbital Diagram\uc744 \uadf8\ub9b0 \uac83\uc774\ub2e4.<\/p>\n

\ucd9c\ucc98 : \ud574\ud53c\ucea0\ud37c\uc2a4<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"

\ubaa9\ucc28 1. [ Data & Results ] 1) H2\uc640 He2 \ubd84\uc790\uc5d0 \ub300\ud55c \uacb0\ud569 \uae38\uc774 \ubc0f \uacb0\ud569 \uc5d0\ub108\uc9c0 \uacc4\uc0b0 \uacb0\uacfc 2) H2\uc640 He2 \ubd84\uc790\uc758 \ud37c\ud150\uc15c \uc5d0\ub108\uc9c0 \uace1\uba74(PES) \uadf8\ub798\ud504 3) H2\uc640 He2 \ubd84\uc790\uc758 MO \uc5d0\ub108\uc9c0 \uc900\uc704 \uadf8\ub9bc \ubc0f 3\ucc28\uc6d0 MO \ubaa8\uc591 2. [ Discussion ] 1) H2\uc640 He2 \ubd84\uc790\uc5d0 \ub300\ud55c \uacb0\ud569 \uae38\uc774 \ubc0f \uacb0\ud569 \uc5d0\ub108\uc9c0 \uacc4\uc0b0 \uacb0\uacfc\uc5d0 […]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[1],"tags":[40603,40604,40602,40605,40600,4579,13956,26853,1809,40601],"class_list":["post-32617","post","type-post","status-publish","format-standard","hentry","category-uncategorized","tag-avogadro","tag-gamess","tag-mo--","tag-wxmacmolplt","tag-40600","tag-4579","tag-13956","tag-26853","tag-1809","tag---pes"],"_links":{"self":[{"href":"https:\/\/blog.agentsoft.co.kr\/index.php\/wp-json\/wp\/v2\/posts\/32617","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/blog.agentsoft.co.kr\/index.php\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/blog.agentsoft.co.kr\/index.php\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/blog.agentsoft.co.kr\/index.php\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/blog.agentsoft.co.kr\/index.php\/wp-json\/wp\/v2\/comments?post=32617"}],"version-history":[{"count":0,"href":"https:\/\/blog.agentsoft.co.kr\/index.php\/wp-json\/wp\/v2\/posts\/32617\/revisions"}],"wp:attachment":[{"href":"https:\/\/blog.agentsoft.co.kr\/index.php\/wp-json\/wp\/v2\/media?parent=32617"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/blog.agentsoft.co.kr\/index.php\/wp-json\/wp\/v2\/categories?post=32617"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/blog.agentsoft.co.kr\/index.php\/wp-json\/wp\/v2\/tags?post=32617"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}