Professional Documents
Culture Documents
1. 1. PHN M U.....................................................................................................
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1.1.1. Tn ti...............................................................................................................
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1.1.2. L do chn ti....................................................................................................
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1.1.3. Mc ch nghin cu..............................................................................................
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1.1.4. Nhim v nghin cu.............................................................................................
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1.1.5. i tng nghin cu............................................................................................
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1.1.6. Phng php nghin cu........................................................................................
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1.2. HNG DN CI T PHN MM...................................................................
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1.3. NI DUNG...............................................................................................................
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1.3.1. Ca s ng dng....................................................................................................
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1.3.2. Thanh menu, cng c v mt s thao tc c bn....................................................
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1.3.2.1. Cc menu, cng c trong khung Structure..........................................................
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a, Cc menu trong khung Structure
.........................................................................................................................................
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b, Cc cng c trong khung Structure
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.........................................................................................................................................
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1.3.2.2. Cc menu, cng c trong khung Draw................................................................
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a, Cc menu trong khung Draw
.........................................................................................................................................
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b, Cc cng c trong khung Draw
.........................................................................................................................................
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1.4. NG DNG V MT S BI TP P DNG....................................................
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1.4.1. Vit phng trnh phn ng...................................................................................
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1.4.2. V cng thc cu to..............................................................................................
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1.4.3. Chuyn t dng cng thc cu to phng sang dng 3D........................................
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1.4.4. V dng c th nghim...........................................................................................
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1.4.5. Gi tn cht theo IUPAC........................................................................................
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TI LIU THAM KHO................................................................................................
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1. 1. PHN M U
1.1.1. Tn ti
HNG DN S DNG PHN MM ACD CHEMSKETCH
1.1.2. L do chn ti
Khoa hc Ha hc vn l mt khoa hc thc nghim. Ngy nay, Ha hc ngy
cng c tin hc ha mt cch su rng, trit . Tin hc gip m t cc qu trnh
thc nghim ca ha hc tr nn d dng, cng nh cung cp nhng cng c
nghin cu su hn v c s l thuyt trong ha hc.
Trong nhim v ging dy ha hc, nghin cu ha hc cng nh trnh by cc
cng trnh nghin cu trong ha hc rt cn cc phn mm minh ha, tr gip cho vic
son tho. Vi s pht trin ca cng ngh thng tin, ngy nay c rt nhiu phn mm
phc v cho cc nhu cu trn, ni bt l phn mm CS Chembio office ca
Cambridgesoft Corp. Tuy nhin y l phn mm c bn quyn, vi gi thnh cao, i
hi cu hnh my tnh tng i. Ngoi ra cn c mt s phn mm min ph khc
cng c th p ng cc yu cu trong vic minh ha v son tho cc cng thc ha
hc nh:
- Isis draw
- Chemsketch
....
Trong ti ny, s tp trung tm hiu cc tnh nng ca phn mm ACD
chemsketch v mt s tnh nng m rng trong ACD Labs gip cho vic s dng
phn mm.
1.1.3. Mc ch nghin cu
Biu din cc cng thc, cu trc ca cc cht ha hc phc v cho vic son
tho v minh ha trong ging dy v nghin cu ha hc.
1.1.4. Nhim v nghin cu
Trnh by cc tnh nng c bn ca phn mm, khai thc ng dng trong vic
son tho, minh ha cc cht dng 2D v 3D.
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Chn Next
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Next
Nhp Install .
Ch vi giy.
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1.3. NI DUNG
1.3.1. Ca s ng dng
Trc ht, bt u s dng phn mm chng ta vo start/All
Program/ACDLABS 12.0/ChemSketch (y l khung lm vic chnh):
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chuyn i.
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V, chnh sa cc nguyn t
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Mt s tin ch khc
Cc cng c xoay v nh hng cu trc
V du ngoc polime
Cc cng c vit phng trnh phn ng
V thm nhnh t ng
V ng cong nh hng lin kt
V lin kt khng gian khng nh hng
V lin kt c hng
V lin kt nh hng trong khng gian
Cc ch v
Cc cng c la chn
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Cc tnh nng trn thanh cng c chnh sa (Edit) cho php vic xoay i tng
nm ngang, thng ng, cn chnh i tng pha trn, pha di, gia, bn tri bn
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phi.
vit du +
vit cng thc ca Clo
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4. S dng cng c
vit du mi tn
5. S dng cng c
6. S dng cng c
thm h s.
8. Dng cc cng c
cn chnh v tr cc cht
2Al
3Cl 2
to
2AlCl 3
2O 2
to
CO2
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2H2O
, v ch v
dng chut nhp vo cng thc CH4, r chut theo hng thch hp ta c CH3CH3,
tip tc vit c mch cacbon nh sau:
H3C
CH
CH2
CH3
CH3
CH
CH2
CH3
Ch :
- Mc nh ca chng trnh khi v, s khng hin ln s C, H gia mch
cacbon. Mun hin th ta s dng t hp phm: Alt + Shift + S hin bng Properties
Tab, trong mc Show cacbon, ta chn v Set default.
- Mun ty chnh hng ca cc nhm nguyn t v lin kt i, dng cng c
O
C
V d 2: V Cng thc cu to :
1. Dng
2. Dng
Cl
v cc lin kt .
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hp thoi define
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Cl
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Ch :
- C th ty chnh cc dng cng thc 3D bng cc cng c trn thanh ngang:
- S dng cc cng c
quay.
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V d: V th nghim : un hi lu
1. Chn cng c
v n cn
2. Chn cng c
v bnh cu
3. Chn cng c
v ng sinh hn
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4. Chn cng c
v dy dn nc cho ng sinh hn
5. Hnh th nghim:
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V d 1: Gi tn
V d 2: Gi tn Vitamin B2:
HO
HO
HO
HO
H3C
H3C
O
NH
O
Ta c tn gi theo IUPAC:
7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione
Trong phn mm, cn rt nhiu tin ch khc m ngi dng c th khai thc.
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