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١٠
±ÊU²Ä ¨ÈÁULý¨ÂËœ Ë XOÐÈÁËœ
 
رﺎﺷاه
HyperChem
ﺮـﻧ زا ﻰﻜﻳﺰﻓامراﻮﺳ ىﺎﻫﺮـﻧ ﻦـﻳا ﺎـﺑ .ﺖﺳا ﻰﻤﻴﺷ رد ﺪﻨﻣدﺰﻓامﻮﺗﻰﻣ راﻮـﻣ ناﻮﻜﻟىﺎﻫل ر هدﺎﺳرﻪﺑ اﺮﻛ ﻪﻨﻴﻬﺑ ﻰﺘﺣاﻮﻃ و دﻮﻴﭘ لز ،ﺎﻫﺪﻧﻮﻴﭘ ىﺎﻫﻪﻳواژﺮﻧا ،ﻰﺸﭽﻴﭘ و ىﺪﻧورد ىﺮﮔ و ﻰﻧر ﻞﻴﻜﺸﺗ ىﺎﻣا روآ ﺖﺳدﻪﺑ ﺎﻫنآ ردﺮﺑ ﻦﻳا .دور زا ﻪـﻣﺎﻧﺪﻨﻧﺎﻣ ﻰﺑﺮﺠﺗﻪﻤﻴﻧ ىﺎﻫش
AM1
،
PM3
،
MNDO
،
CNDO
وورىاﻪﺒﺳﺎﺤﻣ ىﺎﻫش
ab initio
ور ﻦﻳا زا ﻚﻳﺮﻫ .ﺪﻨﻛﻰﻣ هدﺎﻔﺘﺳاﺮﺑ،ﻰﺑﺮﺠﺗﻪﻤﻴﻧ ىاﻪﺒﺳﺎﺤﻣ ىﺎﻫشﺮﺗﺎﻫى راد ﻰﻳﺎﻫﻰﺘﺳﺎﻛ وور ﻦﻳا زا ﻰﻜﻳ ﺞﻳﺎﺘﻧ هﺎﮔ ،ﻪﻛنﺎﻨﭼ ﺪﻧﺮﺑ ﺎﻫشﻮﻣ ﻚﻳ ىاﻮﻜﻟﺪﻨﻧﺎﻣ  ﻰﺑﺮﺠﺗ ىﺎﻫهداد ﺎﺑ ل ﺮﭘ زا هﺪﻣآ ﺖﺳدﻪﺑ ىﺎﻫهدادﺮﭘ شاﻮﺗى
X
زﺎـﺳ  ﺮﺑ ﻪﻛﻰﻟﺎﺣ رد ﺖﺳا رﺎﮔﻮﻣ ىاﻮﻜﻟور زا ﺪـﻳﺎﺑ ،ﺮﮕﻳد ﻰﻟش ﺮـﮕـﻳد ﻰﺑﺮﺠﺗﻪﻤﻴﻧﺮـﻛ هدﺎﻔﺘﺳا ىزﺎﺳ ﻦﻳا ﺎﺗ درﺎﮔﻮـﺷ هﺪﻫﺎﺸﻣ ىور .در ﻢـﻫ ىور ﻦـﻳا ىﻪﻤﻫ ،ﻪﺘﻓﺮﺑ ﺎﻫش ﻮﻛ ﻚﻴﻧﺎﻜﻣ ىﺎﻫﻪﺒﺳﺎﺤﻣﻮﺘﻧاﻮﺘﺳا ﻰﻣراﺮﺑ .ﺪﻧىﻪﻣﺎﻧ
HyperChem
ﺮﺑرﺎﻛﺮـﺘﺴﮔ رﺎﻴﺴﺑ دراد ىاهدنآ زا ﻪﻛ د ﻮـﺗﻰﻣ ﻪﻠﻤﺟرﺎـﺷا ﻰـﻳﺎﻫﻪﺒﺳﺎﺤﻣ و ﻰﻜﻳﺰﻴﻓ ﻰﻤﻴﺷ ىﺎﻫﻪﺒﺳﺎﺤﻣ ﻪﺑ ناﺮـﻛ هﻮﻧا ﺎﻫنآ رد ﻪﻛ دﻮﻣ عاﻮﻜﻟر ﺎـﻫلا ﻮﺗﻰﻣﺮﻛ ﺰﺘﻨﺳ ناﺮﻓ و دﻮﺑﺮﻣ ىﺎﻫﺞﻨﺳار ﺎﻫنآ ﻪﺑ طروآ ﺖﺳدﻪﺑ ا.د
وروﺮﻧ ﻪﺑ دﺰﻓامرا
ﺮـﺑ ﺐـﺼـﻧ زا ﺲـﭘور ﻪـﻣﺎـﻧﺮـﺒـﻧﺎـﻴﻣ ى
HyperChem professional
ﺮـﻴـﺴـﻣ رد ،
start/all/programs/ HyperChem Release7
ﺮﺠﻨﭘﺮﻧ ﻂﻴﺤﻣ ىاهﺰﻓامر راورو زﺎﻏآ رد اﺮﻳﻮﺼﺗ ،ﺪﻫدﻰﻣ نﺎﺸﻧ نآ ﻪﺑ د١ﻦﻳا رد . ﺮﺠﻨﭘﻮـﻧ ،ﻻﺎﺑ زا هﻮﻨﻋ راﻮﻧ ،ناﻮﻧ و ﻮﻨﻣ راﺰـﺑا راو راﻮﺟراد دﻮﻧ رد .دﺰﺑا راو ﻰﻳﺎﻫﻪﻤﻛد راﻮـﺟراد دنﺎﻜﻣا ﻪﻛ د ﺮﺘﺳدﺮﺑ ﻪﺑ ﻰﺳرﻮﺘﺳد ﻰﺧر ﺎﻫﺮﻓ اﻮﻨﻛا .ﺪﻨﻛﻰﻣ ﻢﻫاﺮﺑ ﺎﺑ نﺰﺑا ﻦﻳا زا ﻰﺧرا.ﻢﻳﻮﺷﻰﻣ ﺎﻨﺷآ ﺎﻫ
Draw
ور ﭗﭼ ﻚﻴﻠﻛ رﺎﺑود ﺎﺑﺰﺑا ﻦﻳا ىوﺪﺟ ،راﻮﺷﻰﻣ ﺮﻫﺎﻇ ﻰﺑوﺎﻨﺗ لرﻮﻣ ﺮﺼﻨﻋ .در ﺮﻈﻧ دوﺪﺟ زا ابﺎﺨﺘﻧا ل ﺮﻛرهﺎﻴﺳ ﻪﺤﻔﺻ رد ،هدﺮﺠﻨﭘ ﮓﻧﺮﻗ ه.ﺪﻴﻫد را
 ــــــــــــــــــﻃ ﺮ ا ـــــﺣﻰ  ـــــــﻣ ﻮ  ـــــــﻟ ﻜ  ﻮ ل  د ر ـــــــــــــﻓىﺎﻀ  ـــــﻣ ـــــــﺠ ﺎ ىز
رﺪﻴﻫﺎﻧﻰﺒﺟ
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ﺮﻳﻮﺼﺗ١
١٠
±ÊU²Ä ¨ÈÁULý¨ÂËœ Ë XOÐÈÁËœ
 
١١
±ÊU²Ä¨ÈÁULý¨ÂËœ Ë XOÐÈÁËœ
 
Select
ﺰﺑا ﻦﻳا ﺎﺑﻮﺗﻰﻣ راﺮﺼﻨﻋ ﺪﻴﻧار ﻰﻳﺎﻫﺰﺑا ﺎﺑ ﻪﻛ ارا
Draw
رﺮﻛ ﻢﺳﺮﺑ ﻦﻴﻨﭼﻢﻫ .ﺪﻴﻨﻛ بﺎﺨﺘﻧا ﺪﻳاهدﻚﻳ فﺬﺣ ىا ر ﺮﺼﻨﻋ نآ ﺪﻳﺎﺑ ﺖﺴﺨﻧ ،ﺮﺼﻨﻋﺰﺑا ﻦﻳا ﻚﻤﻛ ﻪﺑ اﺮـﺸﻓ ﺎﺑ ﺲﭙﺳ و بﺎﺨﺘﻧا راﺪﻴﻠﻛ ند
Delete
ر نآ ﺮﻛ فﺬﺣ ا.دﺮﺑرﺎﺧ ىا.ﺪﻴﻨﻛ ﻚﻴﻠﻛ رﺎﺑﻚﻳ ﻪﺤﻔﺻ ﻰﻟﺎﺧ ىﺎﺟ رد ﺖﺳا ﻰﻓﺎﻛ ،بﺎﺨﺘﻧا ﺖﻟﺎﺣ زا نﺪﺷ ج 
Rotate out of plan
ﺰﺑا ﻦﻳا ﻚﻤﻛ ﻪﺑﻮﺗﻰﻣ راﻮﻣ ﺪﻴﻧاﻮﻜﻟر لر هﺪﺷ ﻢﺳﺮﭽﺑ ﺎﻀﻓ رد ا.ﺪﻴﻧﺎﺧ
Rotate in plan
ﺰﺑا ﻦﻳاﻮﻣ راﻮﻜﻟر لر هﺪﺷ ﻢﺳﺮﭼﻰﻣ ﻪﺤﻔﺻ رد ا.ﺪﻧﺎﺧ
Translate
ﺰﺑا ﻦﻳا ﻚﻤﻛ ﻪﺑﻮﺗﻰﻣ راﻮﻣ ناﻮﻜﻟر لر هﺪﺷ ﻢﺳﺮﻛ ﺎﺟﻪﺑﺎﺟ ﺶﻳﺎﻤﻧ ىﻪﺤﻔﺻ رد ا.د
زا هدﺎﻔﺘﺳا ﺎﺑ ﻰﺑﺮﺠﺗﻪﻤﻴﻧ ىﺎﻫﻪﺒﺳﺎﺤﻣ مﺎﺠﻧا
HyperChem
ﻮﻣ ﺖﺴﺨﻧﻮﻜﻟرﻮﻣ لر ﺮﻈﻧ دوﺪﺟ زا هدﺎﻔﺘﺳا ﺎﺑ اﻮﻣ ﻰﺑوﺎﻨﺗ لﻮﺟﺮﻧ رد دﺰﻓامﺰﺑا و رارا
Draw
رﺮﺑ .ﺪﻴﻨﻛ ﻢﺳىار ﺎﻫﻢﺗا ،رﺎﻛﻦﻳاوﺪـﺟ زا ارﺎﻨﻛ لﺮﻛ بﺎﺨﺘﻧا ىز رد ،هدﺮـﺠﻨﭘ هﺎﻴﺳ ىﻪﻨﻴﻣﺮﻗ ه،ﻂـﺧ نﺪﻴﺸﻛ ﺎﺑ ﺲﭙﺳ .ﺪﻴﻫد را ر ﺎﻫﻢﺗاﻮﻴﭘ ﺮﮕﻳدﻚﻳ ﻪﺑ اﺮﻳﻮﺼﺗ ،ﺪﻴﻫد ﺪﻧ٢.
ﻮﻨﻣ زاى
build
ىﻪﻨﻳﺰﮔ ،
Add H & model Build
رﻮﻣ ﺖﻟﺎﺣ ﻦﻳا رد .ﺪﻴﻨﻛ بﺎﺨﺘﻧا اﻮﻜﻟرﻮﻣ لرد ،ﺮﻈﻧ د ﻮﻣ ىﺎﻫﻢﺗا ىﻪﻤﻫ ﻪﻛﻰﻟﺎﺣﻮﻜﻟر لﺮﻴﮔﻰﻣ ﺮﺑرد ارﻮﺻ ﻪﺑ ،دﻮﺷﻰﻣ هداد ﺶﻳﺎﻤﻧ ﺢﻄﺴﻣ تﺮﻳﻮﺼﺗ ،د٣.
uĬœvLOý ÊUNł ËdÄ«
ﺮﻳﻮﺼﺗ٢ﺮﻳﻮﺼﺗ٣
١١
±ÊU²Ä¨ÈÁULý¨ÂËœ Ë XOÐÈÁËœ
 
١٢
±ÊU²Ä ¨ÈÁULý¨ÂËœ Ë XOÐÈÁËœ
 
ﻮﻨﻣ زاى
File
ىﻪﻨﻳﺰﮔ ،
start log
ر ﻞﻳﺎﻓ ﻢﺳا ،ﺮﺑ اﺮﻴﺧذ ىاﺮﻳﻮﺼﺗ ،ﺪﻴﻨﻛ بﺎﺨﺘﻧا ﺎﻫﻪﺒﺳﺎﺤﻣ ىه٤.
ﻮـﻨﻣ زاى
Setup
ﻮﻧ ،ور ع ر ىاﻪـﺒﺳﺎﺤﻣ شور زا ﻰـﻜﻳ ﻪﻛ اﻰـﺑﺮـﺠﺗﻪﻤﻴﻧ ىﺎﻫش
semi-empirical
ﺎﻳ
ab initio
ﺮﻳﻮﺼﺗ ،ﺪﻴﻨﻛ بﺎﺨﺘﻧا ،ﺖﺳا٥و٦.
ﻮـﻨـﻣ زاى
compute
ىﻪـﻨـﻳﺰﮔ ،
Geometry optimization...
رﻮـﺷ زﺎـﻏآ ﺎـﻫﻪـﺒـﺳﺎـﺤـﻣ ﺎـﺗ ﺪـﻴـﻨﻛ بﺎﺨﺘﻧا ا،دﺮﻳﻮﺼﺗ٧و٨. روآدﺎـﻳﻮـﺷﻰﻣ ىﺮـﺑ هﺎـﮔ ﻪﻛ دﻮـﻣ مﺎـﺠﻧا ىاﺮـﻜـﺗ ﻪـﺒـﺳﺎـﺤـﻣ رﺎـﻛ رﺎـﺑ ﻦـﻳﺪـﻨـﭼ ﺪـﻳﺎـﺑ ﻪـﺒﺳﺎﺤﻣ ﻚﻳ ﺰﻴﻣآﺖﻴﻘﻓرا ﻮﺷﺮـﻣﺞﻨﭘ)دز .(ﻪﻠﺣﻮﻧ رد ﻪﻛﻰﻧﺎﻣو راﻮـﻠـﺟ ،ﻪﺤﻔﺻ ﻦﻴﻳﺎﭘ ﺖﻴﻌﺿىﻪﻤﻠﻛ ى
convergence
ىﻪـﻤﻠﻛ
yes
ﻮﻧﻪﺘﺷرﻮـﺻ ﻦـﻳا ﺮﻴﻏ رد ﺖﺳا هﺪﺷ مﺎﺠﻧا ﻪﺒﺳﺎﺤﻣ ،ﺪﺷىﻪـﻤـﻠﻛ ىهﺪﻫﺎﺸﻣ ﺎﺑ ت
No
ﻮﻠﺟ ،ى
convergence
ﻮﺗ وﻗرﺎﺑود ﺪﻳﺎﺑ ،ﻪﺒﺳﺎﺤﻣر نآ هﺮﻣ زا اﻮﺳ ىﻪﻠﺣﺮﻜﺗ مﺮﻛ را.د ﺮﻳﻮﺼﺗ
٧
ﺮﻳﻮﺼﺗ
٨
ﺮﻳﻮﺼﺗ
٥
ﺮﻳﻮﺼﺗ
٦
ﺮﻳﻮﺼﺗ
٤
١٢
±ÊU²Ä ¨ÈÁULý¨ÂËœ Ë XOÐÈÁËœ

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