| 查看: 515 | 回复: 5 | |||
| 当前主题已经存档。 | |||
[交流]
【求助】dmol中算偶极矩的结果，大家分析一下
|
|||
|
B 1 density at nucleus 71.649564 efg: xx yy zz / yz xz xy -0.0966 -0.0988 0.1954 0.1340 0.1378 0.0400 principal axis components -0.1613 -0.1377 0.2990 largest principal component 0.2990 asymmetry parameter 0.0788 其中各行分别代表什么？请大家告知 [ Last edited by aylayl08 on 2010-3-18 at 11:06 ] |
回复此楼» 猜你喜欢
国社科系统bug了，是不是要放榜了？
已经有9人回复
-
申博发邮件
已经有9人回复
-
各位大神，目前国内有哪些比较好用的逆合成软件？
已经有9人回复
-
上海工程技术大学激光智能制造课题组｜2027级博士研究生招生公告
已经有8人回复
-
上海工程技术大学激光智能制造课题组招收博士研究生
已经有8人回复
2楼2009-04-01 21:36:16
3楼2009-04-02 07:53:34
4楼2009-04-02 14:38:01
5楼2009-04-03 16:13:01
chimegreen
木虫 (正式写手)
Dr.
- 应助: 8 (幼儿园)
- 金币: 3659.1
- 散金: 44
- 红花: 4
- 帖子: 521
- 在线: 165.3小时
- 虫号: 177844
- 注册: 2006-02-06
- 性别: GG
- 专业: 凝聚态物性 II ：电子结构
★ ★ ★ ★ ★ ★ ★ ★ ★
study163(金币+3,VIP+0):谢谢参与 4-3 16:15
study163(金币+6,VIP+0):thanks 4-7 14:20
study163(金币+3,VIP+0):谢谢参与 4-3 16:15
study163(金币+6,VIP+0):thanks 4-7 14:20
|
Dipole moment refers to the quality of a system to behave like a dipole. Dipole moment is the measured polarity of a polar covalent bond. It is defined as the product magnitude of charge on the atoms and the distance between the two bonded atoms. Its common unit is debye and SI unit is Coulomb metre. Dipole moments may be measured by comparing the dielectric constant and refractive index of solutions, where the solvent does not have a permanent dipole; e.g. cyclohexane. The solution should contain a non-dissociated solute molecule of choice. Dipole moment may also refer to: Electric dipole moment, the measure of the electrical polarity of a system of charges Transition dipole moment, the electrical dipole moment in quantum mechanics Magnetic dipole moment, the measure of the magnetic polarity of a system of charges Bond dipole moment, the measure of polarity of a chemical bond Electron electric dipole moment, the measure of the charge distribution within an electron Topological dipole moment, the measure of the topological defect charge distribution |
6楼2009-04-03 16:14:31