ChemSketch phn mm h tr v cng thc, phng trnh v tnh ton cn bng ha hc

ACD/ChemSketch phn mm h tr v cng thc, phng trnh v tnh ton cn bng ha hc hon ton min ph

Hm nay, chng ti s gii thiu vi cc nh trng, gio vin v phn mm ACD/ChemSketch. ACD/ChemSketch c dng v hoc thit k ha dng trong b mn Ha hc. Mt c im ht sc ni bt ca phn mm ny l n c pht hnh hon ton min ph. Thm vo module ACD/Labs m rng c nhiu tnh nng tin ch gip cc nh ha hc v nguyn t, phn ng, biu , cc tnh ton c trng ca ha hc, thit k cc bn bo co v trnh chiu chuyn nghip. ACD/ChemSketch bao gm 2 ch lm vic chnh sau: Structure: Cc kiu v dnh cho vic thit k cu trc ha hc v tnh ton cc c trng ca chng. Draw: Cc kiu v vn bn v thit lp ha. Chng ta c th la chn mt trong hai phng php v v thit k vi trn thanh cng c general toolbar hoc s dng phm SPACEBAR chuyn t trng thi draw (v) sang Structure (thit k) Trong trng thi Structure chng ta s thy cc thanh cng c cu trc, tra cu, nguyn t .

Chc nng ch yu ca thanh cng c nguyn t (Atoms toolbar) l v, chnh sa cc k hiu nguyn t trong bng h thng tun hon vi s oxi ha cao nht hoc hp cht m nguyn t la chn c s oxi ha cao nht. V d khi bn la chn C th hp cht c v s l CH4. Thanh cng c cu trc (Structure toolbar) ch yu th hin cc cch v cc lin kt, gc xoay, du, cn bng, tnh ton trong cng thc cu to hoc phn ng ha hc. V d: Vit phn ng A+ B --> C+D v tnh ton cc thng s lin quan. i vi, thanh cng c tra cu (References toolbar) mang n mt th vin cc gc hay cc cng thc tiu biu c thit k sn trong my. Ch cn la chn chng cho mc ch v ca bn. V d: Bn v cc hp cht c gc l mch vng bezen ...

Trong trng thi Draw chng ta s thy cc thanh cng c v (Draw toolbar), chnh sa (Edit toolbar) v thanh cng c chc nng chung (General toolbar).

Thanh cng c v (Draw toolbar) c cha nhiu tnh nng h tr cho vic v nhng hnh n gin v c bn nh vung, trn, hnh ch nht, mi tn v nh ch vo trong vn bn Nhng lnh quen thuc nh sao chp, m vn bn, sao lu vn bn, xa c th hin trn thanh cng c chung (General toolbar). 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 phi. ng dng cc tnh nng trn thit k v v cng thc cu to Ha hc, tnh ton phn ng ha hc V d 1: V cng thc ha hc sau Cc bc thc hin v cng thc cu to trn

1. La chn ng thi chc nng draw normal v carbon. Nhp chut vo mn hnh lm vic c cng thc 2. Nhp p chut vo cng thc va mi to ta c cng thc cu to

3. Chn mt trong hai on ca cng thc cu to cng thc mi c v c dng

. Va nhp chut va ko

4. Chn Oxygen trn thanh cng c v nguyn t chn on v nhp chut ta c cng thc 5. 5. T cng thc 5 ta a chut vo ni n v nhp chut ti v tr la chn s xut hin ni i. Cng thc cu to 6.

6. Dng References toolbar v chn benzen. Nhy chut vo v tr cn lin kt ta c cng thc s 7.

7. Chn nguyn t F t thanh cng c v nguyn t v nhp chut vo v tr cn lin kt. Ta c cng thc mong mun.

V d 2: Cng thc ny biu th Br c th thay th vo bt k mt trong 5 nguyn t C ca cng thc toluen (methylbenzene).

Cc bc thc hin nh sau:

1. La chn nguyn t C trn thanh cng c nguyn t, nhy vo v tr m bn mun gc CH3- nh vo. (2-3)

2. Chn ton b cng thc cu to ca toluen. Chn tnh nng Markush Mass diffe xut hin.

hp thoi define

3. in nhng thng s thch hp (Br) ta c cng thc (6) Phn mm cng h tr vic tnh ton cc thng s ha hc trong mt cng thc dng n cht hoc hp cht. Cc thng s c h tr tnh ton trong mt cng thc. This image has been resized. Click this bar to view the full image. The original image is sized 523x311 and weights 41KB.

V d 3: Tnh ton cc thng s trong cng thc ha hc Mn v C4H10 1. Chn nguyn t Mn t bng tun hon ha hc. V nguyn t Mn trn mn hnh hin hnh. 2. La chn nguyn t Mn bng thanh cng c 3. Chn tnh nng calculate t tools. Kt qu tnh ton hin ra trong bng kt qu tnh ton (calculation result)

4. Chn nhng kt qu bn cn quan tm 5. Chn nt Copy to Editor . S liu tnh ton ca nguyn s hin bn cnh nguyn t .

Thc hin cc bc tng t nh trn vi cng thc C4H10 ta s c cc kt qu

V d 4: Tnh ton cc thng s trong phn ng ha hc 1. Thit k phn ng ha hc bng cc chc nng khc 2. Chn nt cng c , chn mi tn phn ng 3. Hp thoi tnh ton xut hin vi cc thng s tnh ton nh + Cng thc phn t, khi lng phn t + Hng s K + Khi lng mol + Nng +Th tch + Khi lng ring + Hiu sut phn ng Nhy p v cc tng ng v in nhng thng s m bn c ri n Enter. 4. Kt qu hin trn mt vn bn hin hnh v ngay bn di phn ng ha hc . M t bng hnh v.

c bit phn mm ACD/ChemSketch cn c tnh nng chuyn hnh nh cc cng thc cu to t hnh anh 2D sang hnh nh 3D mt cch nhanh chng. Nh m chng ta c th nhn thy cu trc khng gian ca cng thc cu to m mnh nghin cu.

V d 5: Chuyn hnh nh ca cng thc cu to 1. La chn cng thc cu to cng chuyn i 2. Chn tnh nng copy to 3D 3. Hnh nh 3D hin ln trn mn hnh giao din.

t hnh nh 2D sang hnh nh 3D.

C th la chn nhiu kiu th hin v cch thc xoay trn thanh cng bit thm chi tit v c th ti phn mm cc thy c vui lng truy cp vo trang: http://violet.vn/ongdongheo Vo th mc Phn mm download v dng nh.