| 查看: 457 | 回复: 2 | |||
| 当前主题已经存档。 | |||
[交流]
【求助】问大家一点高斯问题
|
|||
|
我算三个原子的 问问大家三个原子的分子态该怎么确定啊?? 谢谢大家 Alpha Orbitals: Occupied (A') (A') (A') (A") (A') (A') (A') (A") (A') (A') (A") (A') (A') (A') (A") (A') (A') (A') (A") (A') (A') (A") (A') (A") Virtual (A') (A") (A') (A') (A') (A') (A") (A") (A') (A') (A') (A") (A') (A') (A') (A') (A") (A') (A") (A') (A') (A") (A") (A') (A') (A") (A') (A') (A') (A') (A") (A') (A") (A') (A') (A") (A') (A') (A') (A") (A') (A") (A') (A') (A") (A') (A') (A') (A') (A") (A") (A') (A") (A') (A") (A') (A") (A') (A') (A') (A") (A') (A') (A") (A') (A') (A") (A') (A") (A') (A') (A") (A') (A') (A") (A') (A") (A') (A") (A') (A') (A') (A') (A") (A') (A') (A') (A") (A') (A') (A") (A") (A') (A") (A') (A') (A") (A") (A') (A") (A') (A') (A') (A") (A') (A') (A') (A') Beta Orbitals: Occupied (A') (A') (A') (A") (A') (A') (A') (A') (A") (A') (A') (A') (A") (A') (A") (A') (A') Virtual (A') (A') (A") (A') (A') (A") (A") (A') (A') (A") (A') (A') (A') (A') (A") (A") (A') (A') (A") (A') (A') (A') (A') (A') (A") (A') (A") (A') (A") (A') (A") (A') (A') (A") (A') (A') (A") (A') (A') (A") (A') (A') (A") (A') (A') (A') (A") (A') (A') (A') (A") (A") (A') (A') (A') (A') (A") (A') (A") (A") (A') (A") (A') (A') (A") (A') (A') (A") (A') (A') (A") (A') (A') (A") (A') (A") (A') (A') (A") (A') (A') (A") (A') (A") (A') (A") (A') (A') (A') (A') (A") (A') (A') (A") (A') (A') (A") (A") (A') (A') (A") (A') (A") (A') (A') (A") (A") (A') (A') (A') (A") (A') (A') (A') (A') [ Last edited by lei0736 on 2008-5-4 at 20:35 ] |
» 猜你喜欢
085404(计算机技术)293分 希望调剂到材料相关专业
已经有0人回复
国内青年破解费曼难题,从分子层面阐释液体蒸发(气液相变)微观过程
已经有5人回复
物理化学论文润色/翻译怎么收费?
已经有152人回复
研究发现一个新的临界系数,独立于临界压缩因子
已经有7人回复
200年来人们一直无法破解的难题: 气液临界点状态方程
已经有7人回复
关于引力延迟下双星系统角动量不守恒的疑惑---求高手解答!
已经有10人回复
七嗪类物质合成求助
已经有0人回复
» 本主题相关商家推荐: (我也要在这里推广)
★ ★
lei0736(金币+2,VIP+0):谢谢
lei0736(金币+2,VIP+0):谢谢
|
布居分析后面就有,例如 Population analysis using the SCF density. rbital symmetries: Occupied (A1G) (T1U) (T1U) (T1U) (T2G) (T2G) (T2G) (A1G) (A2U) (A1G) (T1U) (T1U) (T1U) (EG) (EG) (A1G) (T1U) (T1U) (T1U) (T1U) (T1U) (T1U) (A1G) (T2G) (T2G) (T2G) (A2U) (A1G) (T1U) (T1U) (T1U) (EG) (EG) (A1G) (T1U) (T1U) (T1U) (T2G) (T2G) (T2G) (A2U) (T2U) (T2U) (T2U) (EG) (EG) (T2G) (T2G) (T2G) (T1U) (T1U) (T1U) (T1G) (T1G) (T1G) (EU) (EU) (A1G) (T1U) (T1U) (T1U) (EG) (EG) (T2G) (T2G) (T2G) (T1U) (T1U) (T1U) (T2U) (T2U) (T2U) (T1G) ...... The electronic state is 1-A1G. |
2楼2008-05-04 20:03:18
3楼2008-05-12 15:31:59














回复此楼