| 4 | 1/1 | 返回列表 |
| 查看: 885 | 回復(fù): 3 | |||
[交流]
【請教】ActaE 審稿人意見
|
|||
|
編輯要求我把pi--pi作用加入到table 1中,我的分子結(jié)構(gòu)中存在兩個苯環(huán)之間的pi--pi堆積,是不是在lis文件中找,找到了怎么選擇把它table1中,以下是我找的lis中相關(guān)數(shù)據(jù)。 Analysis of Short Ring-Interactions with Cg-Cg Distances < 6.0 Angstrom and Beta < 60.0Deg. ==================================================================================================================================== - Cg(I) = Plane number I (= ring number in () above) - Alpha = Dihedral Angle between Planes I and J (Deg) - Beta = Angle Cg(I)-->Cg(J) or Cg(I)-->Me vector and normal to plane I (Deg) - Gamma = Angle Cg(I)-->Cg(J) vector and normal to plane J (Deg) - Cg-Cg = Distance between ring Centroids (Ang.) - CgI_Perp = Perpendicular distance of Cg(I) on ring J (Ang.) - CgJ_Perp = Perpendicular distance of Cg(J) on ring I (Ang.) - Slippage = Distance between Cg(I) and Perpendicular Projection of Cg(J) on Ring I (Ang). - P,Q,R,S = J-Plane Parameters for Carth. Coord. (Xo, Yo, Zo) Cg(I) Res(I) Cg(J) [ ARU(J)] Cg-Cg Transformed J-Plane P, Q, R, S Alpha Beta Gamma CgI_Perp CgJ_Perp Slippage Cg(1) [ 1] -> Cg(1) [ 3756.01] 3.7307(19) -0.9199 0.3743 0.1167 -13.5791 0 19.40 19.40 3.5188(12) 3.5188(12) 1.239 Cg(1) [ 1] -> Cg(2) [ 1555.01] 5.181(2) 0.1839-0.5605 0.8075 4.4902 73.46(15) 56.29 56.48 2.8613(12) 2.8756(14) Cg(2) [ 1] -> Cg(1) [ 1555.01] 5.181(2) 0.9199-0.3743-0.1167 10.0603 73.46(15) 56.48 56.29 2.8755(14) 2.8614(12) Cg(2) [ 1] -> Cg(1) [ 3756.01] 5.582(2) -0.9199 0.3743 0.1167 -13.5791 73.46(15) 27.04 83.38 0.6432(14) 4.9716(12) Cg(2) [ 1] -> Cg(2) [ 3755.01] 4.533(2) -0.1839 0.5605-0.8075 -0.8619 0 36.83 36.83 -3.6283(13) -3.6282(13) 2.717 ---------- -------------------------------------------- Min or Max 3.731 0.00 19.40 83.38 -3.628 -3.628 |
» 搶金幣啦!回帖就可以得到:
+1/276
+2/132
+1/88
+1/81
+1/58
+1/33
+1/30
+1/29
+1/17
+1/14
+1/13
+1/12
+1/12
+2/8
+1/6
+1/4
+1/3
+1/3
+1/3
+1/1






| 4 | 1/1 | 返回列表 |
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考研] 一志愿山東大學(xué)藥學(xué)學(xué)碩求調(diào)劑 +3 | 開開心心沒煩惱 2026-03-23 | 4/200 |
|
|---|---|---|---|---|
|
[考研] 335求調(diào)劑 +4 | yuyu宇 2026-03-23 | 5/250 |
|
|
[考研] 279分求調(diào)劑 一志愿211 +17 | chaojifeixia 2026-03-19 | 19/950 |
|
|
[考研] 284求調(diào)劑 +3 | yanzhixue111 2026-03-23 | 6/300 |
|
|
[考研] 327求調(diào)劑 +5 | prayer13 2026-03-23 | 5/250 |
|
|
[論文投稿] 急發(fā)核心期刊論文 +3 | 賢達問津 2026-03-23 | 5/250 |
|
|
[考研] 306求調(diào)劑 +9 | chuanzhu川燭 2026-03-18 | 9/450 |
|
|
[考研] 352求調(diào)劑 +3 | 大米飯! 2026-03-22 | 3/150 |
|
|
[考研] 311求調(diào)劑 +6 | 冬十三 2026-03-18 | 6/300 |
|
|
[考研] 269專碩求調(diào)劑 +6 | 金恩貝 2026-03-21 | 6/300 |
|
|
[考研] 材料與化工(0856)304求B區(qū)調(diào)劑 +3 | 邱gl 2026-03-20 | 7/350 |
|
|
[考研] 求調(diào)劑 +4 | 要好好無聊 2026-03-21 | 4/200 |
|
|
[考研] 二本跨考鄭大材料306英一數(shù)二 +3 | z1z2z3879 2026-03-17 | 3/150 |
|
|
[考研] 274求調(diào)劑 +10 | S.H1 2026-03-18 | 10/500 |
|
|
[考研] 22408 344分 求調(diào)劑 一志愿 華電計算機技術(shù) +4 | solanXXX 2026-03-20 | 4/200 |
|
|
[考研] 321求調(diào)劑 +9 | 何潤采123 2026-03-18 | 11/550 |
|
|
[考研] 295材料求調(diào)劑,一志愿武漢理工085601專碩 +5 | Charlieyq 2026-03-19 | 5/250 |
|
|
[考研] 261求B區(qū)調(diào)劑,科研經(jīng)歷豐富 +3 | 牛奶很忙 2026-03-20 | 4/200 |
|
|
[考研] 0856調(diào)劑,是學(xué)校就去 +8 | sllhht 2026-03-19 | 9/450 |
|
|
[考研] 考研調(diào)劑 +3 | 淇ya_~ 2026-03-17 | 5/250 |
|