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Chemical properties of biological molecules / 1. Biological molecules 2.Importance of carbon 3.Molecules synthesis 4.Isomer 5.Carbohydrates 6.Lipids 7.Proteins 8.Nucleic acids / 1. Biological molecules »ý¹°ÇÐÀû ºÐÀÚ´Â »ý¹°Ã¼ÀÇ ±¸Á¶¿Í ±â´ÉÀ» ±¸¼ºÇÏ´Â ´Ù¾çÇÑ À¯±â ÈÇÕ¹°ÀÌ´Ù. ÀÌµé ºÐÀÚ´Â ÁַΠź¼Ò(c), ¼ö¼Ò(h), »ê¼Ò(o), Áú¼Ò(n), ÀÎ(p), À¯È²(s) µî°ú °°¡¦ |
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°è»êÈÇÐ(Analyzing Electronic structure of small Organic Molecules using PySCF) / 1. Title 2. Purpose 3. Result 1) benzene 2) Propadiene 4. Discussion / 1. Title °è»êÈÇÐÀº ºÐÀÚÀÇ ÀüÀÚ ±¸Á¶¸¦ ÀÌÇØÇÏ°í ¿¹ÃøÇϱâ À§ÇÑ °·ÂÇÑ µµ±¸·Î ÀÚ¸®Àâ°í ÀÖÀ¸¸ç, ƯÈ÷ À¯±â ºÐÀÚ¿¡ ´ëÇÑ ¿¬±¸¿¡¼ ±× Á߿伺ÀÌ ´õ¿í ºÎ°¢µÈ´Ù. PySCF(Python for Strongly Correlated Electro¡¦ |
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¹«±âÈÇнÇÇè observation of charge transfer between donor-acceptor molecules in zeolite Y ½ÇÇ躸°í¼ / 1. ½ÇÇèÁ¦¸ñ 2. ½ÇÇè¸ñÀû 3. ½ÇÇèÀÌ·Ð 4. ½Ã¾à ¹× ±â±¸ 5. ½ÇÇè¹æ¹ý 6. ½ÇÇè°á°ú 7. ½ÇÇè°íÂû 8. ¿¬±¸¹®Á¦ / 1. ½ÇÇèÁ¦¸ñ Á¦¿Ã¶óÀÌÆ® Y ³» ±âºÎÀÚ-¼ö¿ëÀÚ ºÐÀÚ °£ ÀüÇÏ À̵¿ °üÂû`ÀÌ´Ù. ÀÌ ½ÇÇè¿¡¼´Â Á¦¿Ã¶óÀÌÆ® Y¶ó´Â °íµµ·Î Á¤·ÄµÈ ´Ù°ø¼º °áÁ¤ ±¸Á¶¸¦ °®´Â ¹°Áú¡¦ |
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¹°¸®ÈÇнÇÇè Quantum Mechanical Calculation of Molecules ½ÇÇ躸°í¼ / 1. ½ÇÇèÁ¦¸ñ 2. ½ÇÇè¸ñÀû 3. ½ÇÇè°á°ú 4. °á·Ð ¹× °íÂû / 1. ½ÇÇèÁ¦¸ñ ½ÇÇèÁ¦¸ñÀº ¡®Quantum Mechanical Calculation of Molecules¡¯ÀÌ´Ù. ÀÌ ½ÇÇèÀº ºÐÀÚÀÇ ÀüÀÚ±¸Á¶¿Í ¼ºÁúÀ» ¾çÀÚ¿ªÇÐÀû ¹æ¹ýÀ» ÅëÇØ °è»êÇÏ°í ºÐ¼®ÇÏ´Â °ÍÀ» ¸ñÀûÀ¸·Î ÇÑ´Ù. ÀüÅëÀûÀÎ ÈÇÐÀû Á¢±Ù¹ý¸¸À¸·Î´Â º¹ÀâÇÑ ºÐÀÚÀÇ ¼ºÁúÀ» ÃæºÐÈ÷¡¦ |
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°è»êÈÇÐ(Analyzing Electronic structure of small Organic Molecules using PySCF) / 1. Title 2. Purpose 3. Result 1) benzene 2) Propadiene 4. Discussion / 1. Title °è»êÈÇÐÀÇ ºÐ¾ß¿¡¼ ÀüÀÚ ±¸Á¶´Â ºÐÀÚÀÇ ¹°¸®Àû ¹× ÈÇÐÀû ¼ºÁúÀ» °áÁ¤Áþ´Â Áß¿äÇÑ ¿ä¼ÒÀÌ´Ù. ƯÈ÷, ¼Ò±Ô¸ð À¯±â ºÐÀÚÀÇ ÀüÀÚ ±¸Á¶¸¦ ÀÌÇØÇÏ´Â °ÍÀº ¾à¸®ÇÐ, Àç·á °úÇÐ, Ã˸Š¹ÝÀÀ µî ´Ù¾çÇÑ ÀÀ¿ë ºÐ¡¦ |
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¹«±âÈÇнÇÇè Observation of Charge Transfer between Donor-Acceptor Molecules in Zeolite Y / 1. ½ÇÇè Á¦¸ñ 2. ½ÇÇè ¸ñÀû 3. ½ÇÇè ÀÌ·Ð 4. ½Ã¾à ¹× ±â±¸ 5. ½ÇÇè ¹æ¹ý 6. ½ÇÇè °á°ú 7. ½ÇÇè °íÂû 8. ¿¬±¸ ¹®Á¦ / 1. ½ÇÇè Á¦¸ñ ¹«±âÈÇÐ ½ÇÇèÀÇ Á¦¸ñÀº `Zeolite Y¿¡¼ÀÇ ±âºÎü-¼ö¿ëü ºÐÀÚ °£ÀÇ ÀüÇÏ À̵¿ °üÂû`ÀÌ´Ù. Zeolite Y´Â ±¸Á¶ÀûÀ¸·Î ÀÏÁ¾ÀÇ ´Ù°ø¼º ¹°Áú·Î, ±× ³»¡¦ |
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¹«±âÈÇнÇÇè observation of charge transfer between donor-acceptor molecules in zeolite Y ½ÇÇ躸°í¼ / 1. ½ÇÇèÁ¦¸ñ 2. ½ÇÇè¸ñÀû 3. ½ÇÇèÀÌ·Ð 4. ½Ã¾à ¹× ±â±¸ 5. ½ÇÇè¹æ¹ý 6. ½ÇÇè°á°ú 7. ½ÇÇè°íÂû 8. ¿¬±¸¹®Á¦ / 1. ½ÇÇèÁ¦¸ñ ½ÇÇèÁ¦¸ñÀº `Á¦¿Ã¶óÀÌÆ® Y¿¡¼ÀÇ ±âÁõÀÚ-¼ö¿ëü ºÐÀÚ °£ ÀüÇÏ ÀÌÀü °üÂû`ÀÌ´Ù. ÀÌ ½ÇÇèÀº Á¦¿Ã¶óÀÌÆ® Y¶ó´Â °áÁ¤Áú °íü ¹°ÁúÀÇ µ¶Æ¯ÇÑ ±¸Á¶¸¦¡¦ |
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1. ½ÇÇè Á¦¸ñ Áøµ¿-ȸÀü ºÐ±¤ÇÐÀº ºÐÀÚÀÇ Áøµ¿ ¹× ȸÀü »óŸ¦ ºÐ¼®ÇÏ¿© ±× ¹°ÁúÀÇ ¹°¸®Àû ¹× ÈÇÐÀû Ư¼ºÀ» ÀÌÇØÇÏ´Â Áß¿äÇÑ ¹æ¹ý·ÐÀÌ´Ù. ƯÈ÷.. / 1. ½ÇÇè Á¦¸ñ 2. Å°¿öµå 3. ½ÇÇè ÀÏÀÚ 4. ½ÇÇè ¸ñÀû 5. ¿ø¸® ¹× ÀÌ·Ð 1) ¿ë¾îÁ¤¸® 2) ¿ø¸® 6. ½Ã¾à ¹× ±â±¸ 1) ½Ã¾à 2) ±â±¸ 7. ½ÇÇè¹æ¹ý 8. °á°ú 9. °íÂû / 1. ½ÇÇè Á¦¸ñ Áøµ¿-ȸÀü ºÐ±¤ÇÐÀº ºÐÀÚÀÇ Áøµ¿ ¹× ȸ¡¦ |
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1. ½ÇÇèÁ¦¸ñ ½ÇÇè Á¦¸ñÀº `Quantum Mechanical Calculation of Molecules`ÀÌ´Ù. ÀÌ Á¦¸ñÀº ºÐÀÚÀÇ ¾çÀÚ¿ªÇÐÀû.. / 1. ½ÇÇèÁ¦¸ñ 2. ½ÇÇè¸ñÀû 3. ½ÇÇè°á°ú 4. °á·Ð ¹× °íÂû / 1. ½ÇÇèÁ¦¸ñ ½ÇÇè Á¦¸ñÀº `Quantum Mechanical Calculation of Molecules`ÀÌ´Ù. ÀÌ Á¦¸ñÀº ºÐÀÚÀÇ ¾çÀÚ¿ªÇÐÀû °è»êÀ» ´Ù·ç°í ÀÖÀ¸¸ç, ¾çÀÚ¿ªÇÐÀÇ ±âº» ¿ø¸®¿Í ÀÌ·ÐÀ» ¹ÙÅÁÀ¸·Î ºÐÀÚ ½Ã½ºÅÛÀÇ Æ¯¼ºÀ» ºÐ¼®ÇÏ¡¦ |
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