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[热点] CSC & MSCA 博洛尼亚大学能源材料课题组博士/博士后招生｜MSCA经费充足、排名优 雨念 2026-02-06 刚刚
[Gaussian] [已完结]请教高斯View画图的难度 (6/1342) yezhonghua09 2016-01-30 2016-02-02 00:41:18 by 不取俗名
[Gaussian] [已完结]跪求高斯程序使用手册 (1/777) 时间苍白 2016-02-01 2016-02-01 11:21:10 by 小范范1989
[Gaussian] [已完结]ts计算过渡态，自动关闭了。 (1/748) 1030051542 2016-01-29 2016-02-01 10:17:54 by 1030051542
[Gaussian] [已完结][关贴]chem3D 调用Gaussian09W D.01出现问题 (7/1787) a0a0 2016-01-27 2016-01-31 10:48:36 by a0a0
[Gaussian] [已完结]关于优化的LUMO-HOMO，图片的问题 (3/722) 6309155 2016-01-28 2016-01-29 16:22:35 by zhou2009
[Gaussian] [已完结]势能面 (0/1632) 1067310283 2016-01-29 2016-01-29 11:17:26 by 1067310283
[Gaussian] [已完结]高斯软件画的图，很漂亮。有办法把它转换成一个基矢展开的系数？ (0/395) pizi7880 2016-01-28 2016-01-28 23:02:23 by pizi7880
[Gaussian] [已完结]纤维二糖优化结果是选择规整的还是扫面出的能量最低但是很扭曲的结构？ (0/379) 浮云哥哥 2016-01-28 2016-01-28 21:58:37 by 浮云哥哥
[Gaussian] [已完结]Problem detected with inexpensive integrals. 高斯运行出错，求助 (0/1907) 6309155 2016-01-28 2016-01-28 18:21:39 by 6309155
[Gaussian] [已完结]Problem detected with inexpensive integrals. 高斯运行出错，求助 (0/1876) 小妹妹南京 2016-01-28 2016-01-28 14:25:41 by 小妹妹南京
[Gaussian] [已完结]求助 多重度计算 (4/2075) quan筌 2016-01-26 2016-01-27 22:10:42 by 李芳止水安晴
[Gaussian] [已完结]气相和液相条件中的HOMO和LUMO轨道能级 (4/1045) 沉默言慧 2016-01-26 2016-01-27 13:59:52 by 沉默言慧
[Gaussian] 高斯软件能模拟出季铵盐的热力学吗？？ (20/1040) 守望_今天 2016-01-26 2016-01-26 19:32:15 by jixiangbao
[Gaussian] [已完结][关贴]进行Gaussian计算，总不成功，请问怎么解决？谢谢！    ( 1 2 ) (12/1526) 轩辕诗柯 2016-01-19 2016-01-26 11:41:24 by 轩辕诗柯
[Gaussian] [已完结]基态优化出现L9999不收敛情况，如何很好的解决。 (6/1875) yezhonghua09 2016-01-22 2016-01-26 11:40:39 by 不取俗名
[Gaussian] Jim Foresman / AEleen Frisch , 被后者小惊了一下 (3/540) hakuna 2016-01-24 2016-01-25 18:08:29 by ikea1984
[Gaussian] [已完结]自旋极化单重态计算问题 (0/1054) crystalzjy 2016-01-25 2016-01-25 17:12:18 by crystalzjy
[Gaussian] [已完结]请教计算IRC出现l123问题，急！ (6/2740) Jessica0506 2015-01-30 2016-01-25 11:34:42 by 微熏
[Gaussian] [已完结]优化过程中出现2070错误 (2/951) hunter1213 2016-01-21 2016-01-25 10:02:27 by xieruobing
[Gaussian] [已完结]请问用Gaussian软件是否可以计算硅酸盐类材料的拉曼光谱？ (3/890) tulipzhao 2012-05-27 2016-01-24 14:15:42 by Sweetus
[Gaussian] [已完结]求分子的偶极矩 (1/875) 253513140 2016-01-21 2016-01-23 11:33:36 by amy285
[Gaussian] [已完结][关贴][求助]计算力常数构建力场 (2/569) sys_gintama 2016-01-21 2016-01-22 10:55:21 by sys_gintama
[Gaussian] [已完结]带电荷的优化和频率计算 (0/551) 忧凝听雨轩 2016-01-22 2016-01-22 08:52:09 by 忧凝听雨轩
[Gaussian] 老外教授做的视频教程-通过片段猜测抗铁磁性态，貌似比较复杂。 (2/518) xzhfood 2014-08-25 2016-01-21 14:23:53 by crystalzjy
[Gaussian] [已完结]用高斯计算老是出错？得不到计算结果。 (1/469) tupc10 2016-01-20 2016-01-21 14:15:32 by 不取俗名
[Gaussian] [已完结]l716错误怎么改    ( 1 2 ) (13/2122) 李晓绒 2012-11-23 2016-01-21 07:02:22 by 困兽
[Gaussian] [已完结]求助反大神～吡喃葡萄糖反应路径设计！ (0/347) 花开淡墨痕lw 2016-01-20 2016-01-20 23:12:48 by 花开淡墨痕lw
[Gaussian] gaussian中考虑溶剂化效应，但是高斯没有定义这个溶剂怎么解决？ (0/680) xusen00 2016-01-20 2016-01-20 21:26:29 by xusen00
[Gaussian] [已完结]请教一下，高斯计算中出现的SCF里的KE/PE/EE分别指的是什么 (0/1707) njau水巷 2016-01-20 2016-01-20 21:10:32 by njau水巷
[Gaussian] [已完结]高斯里面Cs用SDD去做NBO结果出现了下面的问题，怎么办？ (0/485) 梦里晓诗 2016-01-20 2016-01-20 15:27:28 by 梦里晓诗
[Gaussian] [已完结]关于 TDDFT的问题 (4/2169) 日迟迟 2011-04-21 2016-01-20 11:09:18 by 聂景
[Gaussian] [已完结]Gaussian TDDFT 激发态 频率计算 输入文件 (8/4439) shenzhendsh 2013-11-12 2016-01-19 19:48:51 by 忧凝听雨轩
[Gaussian] [已完结]过渡态输入文件问题 (8/1126) 阳明93 2016-01-19 2016-01-19 09:59:05 by 阳明93
[Gaussian] [已完结]Cannot handle 2e integral symmetry (3/1333) blueybz 2011-07-11 2016-01-19 06:49:39 by jmy888
[Gaussian] 【求助】Error termination in NtrErr:NtrErr Called from FileIO (18/4299) huangnana 2011-04-01 2016-01-19 06:18:11 by yaohy
[Gaussian] [关贴]H2O在FeO表面的吸附反应量子化学计算 (0/350) du198945 2016-01-18 2016-01-18 15:32:24 by du198945
[Gaussian] [已完结]求助，高斯计算出气相配合物的能量有几百千卡，是加的基组太小了吗？ (0/321) 折射蓝天 2016-01-18 2016-01-18 10:04:29 by 折射蓝天
[Gaussian] [已完结]高斯计算紫外吸收光谱出错，不明白是怎么回事，求大神帮忙！    ( 1 2 ) (12/2271) 大飞123456 2016-01-14 2016-01-17 09:39:54 by 大飞123456
[Gaussian] [已完结]高斯优化出错： Error termination in NtrErr: NtrErr Called from FileIO. (0/428) yaohy 2016-01-15 2016-01-15 17:20:02 by yaohy
[Gaussian] 如何设计盐类化合物的等键反应 (3/816) lorna639 2011-10-21 2016-01-15 14:30:49 by freeeasy
[Gaussian] 关于分子第一电离能的问题 (32/3516) yeliya201 2015-03-19 2016-01-15 12:39:22 by cuixueyan
[Gaussian] [已完结]请教GaussView里怎么在分子中添加一个氘原子 (3/2061) shiyley 2016-01-14 2016-01-15 11:38:50 by shiyley
[Gaussian] 高斯计算的电脑配置 (4/1214) 胸毛100根 2016-01-01 2016-01-15 06:43:23 by 胸毛100根
[Gaussian] [已完结]请教关于激发态的理解及其相关的计算 (6/1016) voleyes 2016-01-10 2016-01-15 02:41:18 by luqing6879
[Gaussian] [已完结]虚频 是怎么回事？ (7/3694) 小窗夜梦 2013-05-15 2016-01-14 17:50:33 by beefly
[Gaussian] [已完结]24核心电脑无法满核运算    ( 1 2 ) (12/1724) yezhonghua09 2015-12-03 2016-01-14 16:48:39 by yezhonghua09
[Gaussian] 【求助】激发态优化出错——no map to state 2 (5/1259) zhulijuan001 2010-08-04 2016-01-14 14:51:53 by 928823784
[Gaussian] [已完结]高斯优化S1态出现的问题！ (7/1655) yezhonghua09 2015-12-17 2016-01-14 13:58:10 by yezhonghua09
[Gaussian] [已完结]求助~~怎么用Delta-SCF计算磷光发射？ (5/804) 暖暖的晴空 2016-01-13 2016-01-14 12:51:19 by 暖暖的晴空
[Gaussian] [已完结]Gaussian能计算出来么 (3/711) floodsea 2016-01-12 2016-01-14 12:37:09 by floodsea
[Gaussian] GA和高斯结合是什么意思呢 (0/552) 892999503 2016-01-14 2016-01-14 10:40:57 by 892999503
[Gaussian] [已完结][关贴]过渡态和反应物能量如果很相近，irc分析不对是怎么回事呢 (2/373) 太妃糖么么 2016-01-13 2016-01-14 09:53:42 by 太妃糖么么
[Gaussian] 【求助】用gaussian计算得到out文件和chk文件，怎么得到fch文件？ (4/7583) w34578 2011-04-14 2016-01-13 17:52:31 by wfmi
[Gaussian] lumo-homo图怎么看？？？？ (0/1825) 892999503 2016-01-13 2016-01-13 17:36:54 by 892999503
[Gaussian] [已完结]这个化学反常温下应能否发生？    ( 1 2 ) (16/1258) hongsemenghuan 2015-12-29 2016-01-13 15:51:19 by 8913813
[Gaussian] [已完结]高斯计算中离子电荷的处理    ( 1 2 ) (15/7338) starry99 2011-07-04 2016-01-13 14:32:58 by sivia1990
[Gaussian] [已完结]求助一个IRC的问题 (7/1521) duqian1983 2012-06-27 2016-01-13 11:47:38 by 太妃糖么么
[Gaussian] 【求助】计算过程出错 (7/1615) jayff 2010-08-22 2016-01-13 11:08:09 by 慕容煜
[Gaussian] [已完结]序列号错误怎么办 (0/340) 青天白鹿 2016-01-12 2016-01-12 23:59:01 by 青天白鹿
[Gaussian] [已完结][关贴]菜鸟求助optimization plot图不显示的问题 (1/963) 夜水晶 2016-01-12 2016-01-12 22:12:44 by 夜水晶
[Gaussian] [已完结]老是出错 求大神 Error termination via Lnk1e in /opt/g09.b01/g09/l101.exe (7/3174) 1752254448 2016-01-04 2016-01-12 21:54:19 by 三方石墨
[Gaussian] [已完结]求助MS，Gaussian 大神帮助看看：TS模拟计算失败……    ( 1 2 ) (15/2440) 秋思恰落花 2016-01-03 2016-01-12 20:46:50 by 秋思恰落花
[Gaussian] 如何得到Gaussian基组的解析形式 (23/3178) yeliya201 2010-06-22 2016-01-12 16:35:17 by yoghurt117
[Gaussian] [已完结]Fe（CN）6的优化 (3/673) haibin369 2016-01-11 2016-01-12 08:18:02 by 枪下游魂
[Gaussian] [已完结]怎样在gaussian view中画氧化型谷胱甘肽的分子式 (0/255) 1012203014 2016-01-11 2016-01-11 17:41:55 by 1012203014
[Gaussian] [已完结][关贴]求助~怎么用dushin计算Huang-Rhys factor (0/810) 暖暖的晴空 2016-01-11 2016-01-11 17:09:57 by 暖暖的晴空
[Gaussian] [已完结]g09 的 IRC 的 L123 问题    ( 1 2 ) (12/5406) ludeng8710 2011-10-25 2016-01-11 16:48:32 by 阿克飞顿
[Gaussian] 【求助】高斯计算分子结合能 (8/4896) jxzhao 2010-08-21 2016-01-11 13:57:31 by wfmi
[Gaussian] [已完结]急求各位前辈请教问题 (5/1253) 0502114073 2012-06-11 2016-01-11 06:45:39 by 小妹妹南京
[Gaussian] 【求助】结构优化或量化计算时如何设置温度？    ( 1 2 ) (13/1676) tjfwg 2010-11-01 2016-01-10 18:26:38 by 寂寞稻草人
[Gaussian] [已完结]为什么激发态是由不同跃迁方式的线性组合？ (3/603) xcyqyz5233 2011-07-11 2016-01-10 08:04:07 by voleyes
[Gaussian] 求问什么版本的Chem3D可以跟G98兼容 (0/261) hb2010 2016-01-09 2016-01-09 20:48:13 by hb2010
[Gaussian] [已完结][关贴]Gaussian 09W进行DFT计算后，在哪里能够找到 HOMO，LUMO的能量数据? (4/2155) ciahys 2016-01-09 2016-01-09 20:37:05 by 不取俗名
[Gaussian] [已完结]团簇在催化领域的研究 (0/912) 学员nXFSfL 2016-01-08 2016-01-08 22:33:41 by q1108052050
[Gaussian] [已完结]Gaussian09w的内存怎么修改 (4/1997) floodsea 2016-01-08 2016-01-08 17:44:12 by floodsea
[Gaussian] [已完结]LC-BOP+LRD方法如何在Gaussian中实现？ (0/313) xyjin1977 2016-01-08 2016-01-08 17:01:32 by xyjin1977
[Gaussian] [已完结]请问有没有做高岭石模型的，给个建议，本人做了好长时间的优化，都优化不出来 (0/458) 20144015lty 2016-01-08 2016-01-08 15:20:01 by 20144015lty
[Gaussian] [已完结]Windows7下的gaussview问题 (5/788) future132 2016-01-07 2016-01-08 15:03:31 by future132
[Gaussian] [已完结]QM/MM 和ONIOM (5/2733) 兰花草翠翠 2014-09-26 2016-01-08 13:27:50 by 那年·时光飞
[Gaussian] [已完结]看文献 看到这句话不知道什么意思 (1/358) 流浪的赌徒 2016-01-08 2016-01-08 13:03:29 by WanderingHeart
[Gaussian] [已完结]oniom中s-value正常吗 (2/795) astringent 2011-09-28 2016-01-08 12:52:38 by 那年·时光飞
[Gaussian] [已完结]求助高斯09 D01版本中算DMF溶剂的参数命令 (5/2653) fengzhiwu 2015-12-25 2016-01-08 11:33:44 by xieruobing
[Gaussian] [已完结]GAUSSIAN 09输入文件中的孤电子对是否删除 (4/1056) wangjinglu 2016-01-07 2016-01-08 10:16:03 by wangjinglu
[Gaussian] [已完结]经常见到ONIOM这个词，但是不知道这是个啥子 (7/1163) lastzealot 2015-09-30 2016-01-08 06:15:14 by lastzealot
[Gaussian] [已完结]计算TD-DFT出错，求帮助~ (7/1020) marson 2015-09-25 2016-01-08 01:34:59 by yezhonghua09
[Gaussian] [已完结]如何修改从Gaussview得到的分子中特定原子的颜色    ( 1 2 ) (11/7751) 势在必行 2014-08-23 2016-01-07 13:57:54 by 伊风yfh
[Gaussian] [已完结]gaussian计算出现 l101错误，求高手指点 (6/1790) 涵源亦可 2016-01-06 2016-01-07 11:30:12 by 涵源亦可
[Gaussian] [已完结]用Gaussian 可以计算分子间的缔合能吗，新手求助。小女子万分感谢 (2/549) zixiaofsw 2016-01-05 2016-01-07 10:57:26 by zixiaofsw
[Gaussian] 【求助】gaussian09 错误 (6/1585) yan824 2011-01-02 2016-01-07 08:16:03 by 阿克飞顿
[Gaussian] [已完结]关于Input orientation的问题 (5/1139) pxhl 2015-12-24 2016-01-06 21:41:42 by pxhl
[Gaussian] [已完结]关于利用高斯计算BSSE，校正后的结合能变大还是变小的问题。 (0/672) 紫色棒棒糖 2016-01-06 2016-01-06 09:57:57 by 紫色棒棒糖
[Gaussian] 求助~相同原子的坐标怎么保存到一起？    ( 1 2 ) (19/1378) 暖暖的晴空 2015-11-12 2016-01-06 09:09:05 by 从心而觅
[Gaussian] [已完结]扫描二面角 (5/1473) 454126857wcl 2016-01-04 2016-01-06 07:13:16 by 枪下游魂
[Gaussian] [已完结]LUMO轨道——求答疑解惑 (5/1096) 小灵鱼儿 2015-12-29 2016-01-04 20:25:31 by 小灵鱼儿
[Gaussian] [已完结]关于计算载流子传输速率的问题    ( 1 2 ) (12/1923) TimKristic 2015-10-25 2016-01-04 06:56:22 by 从心而觅
[Gaussian] [已完结]高斯计算-激发态优化    ( 1 2 ) (13/3383) huanghj1984 2014-02-09 2016-01-04 06:48:23 by 枪下游魂
[Gaussian] 【求助】ReaxFF 力场参数化问题请教 (评阅-12) (9/4875) mophyworld 2011-04-13 2016-01-03 09:05:10 by 破碎雨后
[Gaussian] [已完结]高斯计算过渡态的问题 (2/1986) 小果仁儿 2016-01-01 2016-01-02 12:03:11 by 海天酱油2号
[Gaussian] 【求助】求gaussian 和gaussian view 怎么模拟红外谱图 (8/1976) wjlouc 2010-06-21 2016-01-01 09:35:20 by 护球学大帝
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