 |
 |
 |
 |
 |
 |
||
 |
 |
 |
 |
 |
| 5 | 2/1 | 返回列表 |
| 查看: 7896 | 回復: 222 | ||
| 當前只顯示滿足指定條件的回帖，點擊這里查看本話題的所有回帖 | ||
[資源]
Molecular Modelling Principles and Applications
|
||
應該是發(fā)到這里來吧…如果發(fā)錯了請見諒…… This book provides a detailed description of the techniques employed in molecular modelling and computational chemistry. The first part of the book covers the two major methods used to describe the interactions within a system (quantum mechanics and molecular mechanics). The second part then deals with techniques that use such energy models, including energy minimisation, molecular dynamics, Monte Carlo simulations and conformational analysis. The author also discusses the use of more advanced modelling techniques such as the calculation of free energies and the simulation of chemical reactions. In addition he considers aspects of both chemoinformatics and bioinformatics and techniques that can be used to design new molecules with specific properties. Many of the topics are treated in considerable depth but the reader is assumed to have but a basic knowledge of the relevant physical and chemical principles. Most of the theoretical sections are accompanied by simple calculations together with examples drawn from the literature. The book is well illustrated and a colour plate section highlights the impact of computer molecular graphics. The book will prove a valuable text for postgraduate students and professionals and many sections will be useful to final-year undergraduates taking courses in molecular modelling or computational chemistry.【轉】 拿到這本書后，一直沒時間看，但感覺不錯，所以發(fā)上來分享一下，如果不好的話，請通知管理員刪除…… [ Last edited by bleach332361 on 2012-9-20 at 13:46 ] |
回復此樓» 本帖附件資源列表
-
歡迎監(jiān)督和反饋：小木蟲僅提供交流平臺，不對該內(nèi)容負責。
本內(nèi)容由用戶自主發(fā)布，如果其內(nèi)容涉及到知識產(chǎn)權問題，其責任在于用戶本人，如對版權有異議，請聯(lián)系郵箱：xiaomuchong@tal.com - 附件 1 : MolecularModellingPrinciplesandApplications.pdf
2012-09-20 12:30:56, 46.34 M
» 猜你喜歡
一志愿同濟大學323分（080500）求調(diào)劑
已經(jīng)有3人回復
-
330分求調(diào)劑
已經(jīng)有7人回復
-
336求調(diào)劑
已經(jīng)有3人回復
-
285求調(diào)劑
已經(jīng)有5人回復
-
調(diào)劑推薦
已經(jīng)有9人回復
-
材料調(diào)劑
已經(jīng)有6人回復
-
材料專碩322分
已經(jīng)有3人回復
-
321求調(diào)劑
已經(jīng)有5人回復
-
301求調(diào)劑
已經(jīng)有6人回復
-
085600，321分求調(diào)劑
已經(jīng)有13人回復
87樓2014-04-04 15:43:10
2樓2012-09-20 13:14:20
3樓2012-09-20 13:47:25
非常好的東東。感謝感謝！ 13樓2012-11-13 22:40:31
簡單回復
2012-09-20 16:03
回復
五星好評 頂一下，感謝分享！
wmnick5樓
2012-09-21 10:04
回復
五星好評 頂一下，感謝分享！
2012-09-21 15:27
回復
五星好評 頂一下，感謝分享！
yy14087樓
2012-09-21 20:13
回復
五星好評 頂一下，感謝分享！
2012-11-12 23:07
回復
五星好評 頂一下，感謝分享！
beyond201011樓
2012-11-13 18:38
回復
五星好評 頂一下，感謝分享！
2012-11-13 21:00
回復
頂一下，感謝分享！
zhm_list14樓
2012-11-14 14:11
回復
五星好評 頂一下，感謝分享！
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考研] 288求調(diào)劑 一志愿哈工大 材料與化工 +25 | 洛神哥哥 2026-03-31 | 25/1250 |
|
|---|---|---|---|---|
|
|
[考研] 318求調(diào)劑 +8 | 七憶77 2026-04-01 | 8/400 |
|
|
|
[考研] 267求調(diào)劑 +13 | uiybh 2026-03-31 | 13/650 |
|
|
[考研] 08工科275分求調(diào)劑 +8 | AaAa7420 2026-03-31 | 8/400 |
|
|
|
[考研] 311求調(diào)劑 +9 | 李芷新1 2026-03-31 | 9/450 |
|
|
|
[考研] 材料科學與工程求調(diào)劑 +13 | 深V宿舍吧 2026-03-29 | 13/650 |
|
|
|
[考研] 336材料求調(diào)劑 +10 | 陳瀅瑩 2026-03-26 | 12/600 |
|
|
|
[考研] 求化學調(diào)劑 +12 | wulanna 2026-03-28 | 12/600 |
|
|
|
[考研] 學碩274求調(diào)劑 +17 | Li李魚 2026-03-26 | 17/850 |
|
|
|
[考研] 367求調(diào)劑 +7 | 芋泥啵�！� 2026-03-28 | 7/350 |
|
|
|
[考研] 262求調(diào)劑 +7 | ZZ..000 2026-03-30 | 8/400 |
|
|
|
[考研] 08工科求調(diào)劑286 +5 | tgs_001 2026-03-28 | 5/250 |
|
|
|
[考研] 本科211總分289，08工學真心求調(diào)劑 +3 | utopiaE 2026-03-30 | 3/150 |
|
|
|
[考研] 356求調(diào)劑 +4 | gysy?s?a 2026-03-28 | 4/200 |
|
|
|
[考研] 298求調(diào)劑 +4 | 種圣賜 2026-03-28 | 4/200 |
|
|
|
[考研] 本科雙非材料，跨考一志愿華電085801電氣，283求調(diào)劑，任何專業(yè)都可以 +6 | 芝士雪baoo 2026-03-28 | 8/400 |
|
|
|
[考研] 283求調(diào)劑 +3 | A child 2026-03-28 | 3/150 |
|
|
|
[考研] 材料與化工（0856）304求B區(qū)調(diào)劑 +8 | 邱gl 2026-03-27 | 8/400 |
|
|
|
[考研] 275求調(diào)劑 +10 | jjjjjjjjjjl 2026-03-27 | 10/500 |
|
|
|
[考研] 一志愿上海理工能源動力（085800）310分求調(diào)劑 +3 | zhangmingc 2026-03-27 | 4/200 |
|