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[¹°¸®ÈÇнÇÇè2] ½ÇÇè5 ¿¹ºñ·¹Æ÷Æ® Gaussian Calculation / 1.½ÇÇè¸ñÀû 2.ÀÌ·Ð ¹× ¿ø¸® 3.½Ã¾à 4.½ÇÇè°úÁ¤ 5.ÁÖÀÇ ¹× Âü°í»çÇ× 6.Âü°í¹®Çå / 1.½ÇÇè¸ñÀû ½ÇÇè5ÀÇ ¸ñÀûÀº Gaussian °è»êÀ» ÅëÇØ ÈÇÐ ºÐÀÚÀÇ ±¸Á¶¿Í ¼ºÁúÀ» ÀÌ·ÐÀûÀ¸·Î ºÐ¼®ÇÏ´Â °ÍÀÌ´Ù. Gaussian ¼ÒÇÁÆ®¿þ¾î´Â ¾çÀÚ ÈÇÐ °è»êÀ» À§ÇÑ ´ëÇ¥ÀûÀÎ µµ±¸·Î, ºÐÀÚÀÇ ÀüÀÚ ±¸Á¶ ¹× ¿¡³ÊÁö¸¦ °áÁ¤ÇÏ´Â µ¥ À¯¿ëÇÏ´Ù. ½ÇÇèÀ»¡¦ |
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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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ȽDZâ Quantum Chemistry Calculation SN2 Reaction º¸°í¼ / 1. ABSTRACT 2. Introduction 3. Method 4. Results and Discussion 5. Conclusion 6. Reference / 1. ABSTRACT SN2 ¹ÝÀÀÀº À¯±â ÈÇп¡¼ Áß¿äÇÑ ÀüÀÌ »óŸ¦ Á¦½ÃÇÏ´Â À̸¥¹Ù µÎ °³ÀÇ ºÐÀÚ°¡ µ¿½Ã¿¡ ¹ÝÀÀÇÏ´Â ¸ÞÄ¿´ÏÁòÀÌ´Ù. ÀÌ º¸°í¼´Â ¾çÀÚÈÇÐ °è»êÀ» ÅëÇØ SN2 ¹ÝÀÀÀÇ ¼³¸í°ú Çؼ®À» Á¦°øÇÏ´Â °ÍÀ» ¸ñÇ¥·Î ÇÑ´Ù¡¦ |
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C¾ð¾î Random Square Maxtrix Generation , Calculation, ±¸Á¶Ã¼¸¦ È°¿ëÇÑ ÀüȹøÈ£ºÎ / 1. Program 1) Random Square Maxtrix Generation & Calculation / 1. Program 1) Random Square Maxtrix Generation & Calculation C ¾ð¾î¸¦ ÀÌ¿ëÇÑ ·£´ý Á¤»ç°¢Çü Çà·Ä »ý¼º ¹× °è»êÀº ÇÁ·Î±×·¡¹Ö°ú ¼öÇÐÀû °³³äÀ» µ¿½Ã¿¡ È°¿ëÇÒ ¼ö ÀÖ´Â Èï¹Ì·Î¿î ÁÖÁ¦ÀÌ´Ù. Á¤»ç°¢Çü Çà·ÄÀº °°Àº ¼öÀÇ Çà°ú ¡¦ |
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Quantum chemistry calculation SN2 reaction / 1. Abstract 2. Introduction 3. Method 4. Result & Discussion 5. Conclusion 6. Reference / 1. Abstract SN2 ¹ÝÀÀÀº À¯±â ÈÇп¡¼ Áß¿äÇÑ µÎ °¡Áö ¿ä¼Ò, Áï Ä£ÇÙü¿Í Ä£ÀüÀÚü °£ÀÇ »óÈ£ÀÛ¿ëÀ» ÅëÇØ ¹ß»ýÇÏ´Â ¹ÝÀÀ À¯ÇüÀÌ´Ù. ÀÌ ¹ÝÀÀÀº ´ÜÀÏ ´Ü°è¿¡¼ ÁøÇàµÇ¸ç, Ä£ÇÙü°¡ Ä£ÀüÀÚüÀÇ ÀüÀÚ¸¦ °ø°ÝÇÏ¸é¼ »õ·Î¿î °áÇÕÀÌ Çü¼ºµÇ¡¦ |
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[¹°¸®ÈÇнÇÇè2] ½ÇÇè5 °á°ú·¹Æ÷Æ® Gaussian Calculation / 1. ½ÇÇè°á°ú 2. Åä·Ð ¹× ÅäÀÇ 3. Âü°í¹®Çå / 1. ½ÇÇè°á°ú ½ÇÇè5¿¡¼´Â Gaussian °è»êÀ» ÅëÇØ Æ¯Á¤ ºÐÀÚÀÇ ÀüÀÚ ±¸Á¶¿Í ¿¡³ÊÁö »óŸ¦ ºÐ¼®ÇÏ¿´´Ù. ÀÌ ½ÇÇèÀÇ ÁÖ¿ä ¸ñÇ¥´Â °è»ê ÈÇÐÀÇ ¹æ¹ý·ÐÀ» ÅëÇØ ºÐÀÚÀÇ ÃÖÀûÈ ±âÇÏÇÐ ¹× ÀüÀÚ ¹Ðµµ, ¿¡³ÊÁö °ªÀ» ±¸ÇÏ´Â °ÍÀ̾ú´Ù. ½ÇÇè¿¡ »ç¿ëÇÑ ºÐÀÚ´Â A·Î ¸í¸íµÈ ÈÇÕ¹°·Î, ÀÌ ºÐÀÚ¡¦ |
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[¹°¸®ÈÇнÇÇè2] ½ÇÇè5 ¿¹ºñ·¹Æ÷Æ® Gaussian Calculation / 1.½ÇÇè¸ñÀû 2.ÀÌ·Ð ¹× ¿ø¸® 3.½Ã¾à 4.½ÇÇè°úÁ¤ 5.ÁÖÀÇ ¹× Âü°í»çÇ× 6.Âü°í¹®Çå / 1.½ÇÇè¸ñÀû ÀÌ ½ÇÇèÀÇ ¸ñÀûÀº Gaussian ¼ÒÇÁÆ®¿þ¾î¸¦ È°¿ëÇÏ¿© ºÐÀÚÀÇ ¾çÀÚ¿ªÇÐÀû Ư¼ºÀ» °è»êÇÏ°í ºÐ¼®ÇÏ´Â °ÍÀÌ´Ù. Çö´ë ¹°¸®ÈÇÐÀÇ Áß¿äÇÑ ºÐ¾ß Áß ÇϳªÀÎ ¾çÀÚÈÇÐÀº ºÐÀÚ ±¸Á¶, ¿¡³ÊÁö, ¹ÝÀÀ °æ·Î µîÀÇ Á¤º¸¸¦ Á¦°øÇÏ´Â µ¥ ÇʼöÀûÀΡ¦ |
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ȽDZâ Quantum Chemistry Calculation SN2 Reaction º¸°í¼ / 1. ABSTRACT 2. Introduction 3. Method 4. Results and Discussion 5. Conclusion 6. Reference / 1. ABSTRACT ÀÌ º¸°í¼¿¡¼´Â SN2 ¹ÝÀÀÀÇ ¾çÀÚ ÈÇÐ °è»êÀ» ´Ù·ç¸ç, ÀÌ ¹ÝÀÀÀÇ ¸ÞÄ¿´ÏÁòÀ» ÀÌÇØÇÏ°í, ÀüÀÌ »óÅ ¹× ¹ÝÀÀ °æ·ÎÀÇ ¿¡³ÊÁö¸¦ Æò°¡ÇÏ°íÀÚ ÇÑ´Ù. SN2 ¹ÝÀÀÀº µÎ °³ÀÇ ¹ÝÀÀ¹°ÀÌ »óÈ£ÀÛ¿ëÇÏ¿© ÇϳªÀÇ »ý¼º¹°¡¦ |
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