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[热点] 遇见不省心的家人很难过 otani 2026-02-09 刚刚
[Gaussian] 【求助】内存问题 (1/258) blueybz 2011-04-17 2011-04-17 21:36:56 by jjww0001
[Gaussian] 【讨论】有没有算pi-pi作用比较靠谱的泛函 (8/2243) tiechong 2011-04-16 2011-04-17 20:13:30 by yongma2008
[Gaussian] 【转载】Gaussian入门技巧三（关于收敛问题） (评阅+3) (2/1664) honey宝贝 2011-04-01 2011-04-17 16:21:55 by xinglaidor
[Gaussian] 【求助】gaussian中如何算spin-projected energy？ (3/816) fatpig8832 2011-03-14 2011-04-17 15:03:42 by 奔鲨
[Gaussian] 【求助】结构优化报错， (2/840) charityqi 2011-04-15 2011-04-16 18:58:56 by charityqi
[Gaussian] 【求助】求助 安装不了 (3/406) blueybz 2011-04-16 2011-04-16 18:34:30 by tangbohejin
[Gaussian] 【求助】在原有输出文件的基础上增加输出的方法 (6/840) psichologist 2011-04-14 2011-04-15 21:37:00 by sobereva
[Gaussian] 【求助】请教有关前线轨道里的刺激轨道效应 (0/347) conan3020 2011-04-15 2011-04-15 14:41:39 by conan3020
[Gaussian] 【求助】关于Root和Nstates (10/2322) suosuosky 2011-04-06 2011-04-15 13:32:00 by suosuosky
[Gaussian] 【求助】在gaussian输出文件中，如何查找电荷分布？ (1/2284) hztal 2011-04-15 2011-04-15 11:28:07 by chiweijie
[Gaussian] 【求助】求助 非正常结束死在914.exe怎么办？ (2/609) 灵灵呢 2011-04-14 2011-04-15 10:24:56 by gmy1990
[Gaussian] 【求助】审稿意见请教！ (3/1251) sunhaitao 2011-04-14 2011-04-14 23:06:41 by beefly
[Gaussian] 【求助】计算出的UV用什么作图软件比较好 (17/2212) yxk8712 2011-04-09 2011-04-14 22:53:19 by haweilan_sy
[Gaussian] 【求助】用gaussian计算构型时出错，请帮忙 (8/845) liujkbenben 2011-04-11 2011-04-14 22:36:21 by minisun
[Gaussian] 【求助】gold(III),优化的时候给电荷和自旋多重度应该是多少？ (7/1564) wutongshun 2011-04-13 2011-04-14 19:45:26 by wzh871115
[Gaussian] 【求助】BSSE是什么呀 (2/385) 我的未来bsm 2011-04-14 2011-04-14 18:06:01 by 我的未来bsm
[Gaussian] 【求助】几何优化总是不能结束 (2/507) zhihuai85 2011-04-14 2011-04-14 15:59:04 by 我的未来bsm
[Gaussian] 【求助】结构的建造 (0/180) 长乐未央 2011-04-14 2011-04-14 15:30:24 by 长乐未央
[Gaussian] 【求助】硫酸亚汞应当采用什么基组来计算 (3/459) 20928140 2011-04-12 2011-04-14 12:00:56 by 20928140
[Gaussian] 【求助】ir和raman光谱能否求分向量（sfg） (0/252) chunchi77726 2011-04-14 2011-04-14 11:12:33 by chunchi77726
[Gaussian] 【求助】新手求教gaussion计算基本的问题 (4/852) zqtian501 2011-04-13 2011-04-14 11:09:59 by llwwwh
[Gaussian] 【求助】l601.exe (0/374) shuai6974 2011-04-14 2011-04-14 11:04:24 by shuai6974
[Gaussian] 【讨论】优化结果和单晶结构差的很远，帮忙看看 (5/648) crystalzjy 2011-04-12 2011-04-14 11:04:14 by crystalzjy
[Gaussian] 【求助】自旋密度 (8/2823) zml2009 2011-03-21 2011-04-14 10:45:28 by zhongrl898
[Gaussian] 【求助】求助 在guassian中算NMR时 输入文件怎么写 (2/414) daoweihe 2011-04-13 2011-04-14 09:49:03 by daoweihe
[Gaussian] 【求助】gaussian 安装的问题 (5/725) lianqilianqi517 2011-04-13 2011-04-14 08:18:56 by zhou2009
[Gaussian] 【讨论】采用何种方法与基组优化出来的分子结构最为可靠？ (4/1182) liuyusuc 2011-04-11 2011-04-13 21:24:17 by honey宝贝
[Gaussian] 【讨论】Cs点群轨道跃迁 (0/412) a349857460 2011-04-13 2011-04-13 20:52:26 by a349857460
[Gaussian] 【求助】急求gaussview3.7的序列号 (1/472) sunxtxt 2011-04-13 2011-04-13 18:29:11 by gougaozhan
[Gaussian] 【求助】关于用外加电荷的方法得到对称性破缺UHF的解 (1/289) airjinlong 2011-04-13 2011-04-13 16:43:23 by 375642546
[Gaussian] 【求助】前线轨道 (1/392) sunlong650 2011-04-13 2011-04-13 16:33:03 by chiweijie
[Gaussian] 【求助】电子磁化率在guassian中怎么算 输入文件怎么写 (1/291) daoweihe 2011-04-13 2011-04-13 13:18:34 by daoweihe
[Gaussian] 【求助】做催化反应 扫线找过渡态的时候 卡住不动 (3/642) asaki 2011-04-07 2011-04-13 11:55:53 by manson1998
[Gaussian] 【求助】L122是做什么的？ (0/430) wushidi 2011-04-13 2011-04-13 11:11:50 by wushidi
[Gaussian] 【求助】结构优化-急需解决的问题 (7/1931) zxg200910 2010-11-09 2011-04-13 10:36:26 by 20928140
[Gaussian] 【求助】急！请问高斯可以计算复合材料的（如碳酸氢钠负载在二氧化硅大孔材料上）热力 (1/505) vipxj 2011-04-12 2011-04-13 10:01:36 by vipxj
[Gaussian] 【求助】帮忙解释一下高斯执行计算的命令 (3/1790) xiaoyingw 2011-04-12 2011-04-12 18:19:52 by xiaoyingw
[Gaussian] 【求助】计算MP2时系统出现"read only file system”错误！ (8/827) shuo2008 2011-04-08 2011-04-12 17:37:08 by fatpig8832
[Gaussian] 【转载】点群小问题 (0/1153) xj544 2011-04-12 2011-04-12 15:49:33 by xj544
[Gaussian] [关贴]【求助】计算金属簇对气体吸附，用哪个软件计算较好？ (6/1134) meteoric30 2011-04-11 2011-04-12 08:12:01 by levyleo
[Gaussian] 【求助】WATCHERS (3/387) shuai6974 2011-04-11 2011-04-11 19:09:04 by 375642546
[Gaussian] 【求助】轨道图 (1/364) 4010808 2011-04-11 2011-04-11 17:24:46 by zhou2009
[Gaussian] 【求助】G03自动退出运行 (5/511) XYLF 2011-04-09 2011-04-11 17:13:08 by shuai6974
[Gaussian] 【求助】加热反应的计算 (0/233) dlstella 2011-04-11 2011-04-11 16:01:36 by dlstella
[Gaussian] 【求助】急需帮忙，这是什么错误 (5/1202) convenient 2011-04-10 2011-04-11 10:51:49 by 我的未来bsm
[Gaussian] 【讨论】G03W应用错误 (2/459) xiaoyingw 2011-04-09 2011-04-11 08:17:40 by xiaoyingw
[Gaussian] 【求助】CASSCF 计算中遇到一个问题 (0/432) cwdong8309 2011-04-10 2011-04-10 22:02:32 by cwdong8309
[Gaussian] 【求助】Erroneous write during file extend. write 1802239 instead of 32768 (0/295) shuhuiguan 2011-04-10 2011-04-10 09:43:05 by shuhuiguan
[Gaussian] 【求助】急救啊！！！ (0/339) onion007 2011-04-10 2011-04-10 09:34:25 by onion007
[Gaussian] 【求助】求教如何获取计算一个任务所花费的实际时间？ (1/635) bluesxn 2011-04-09 2011-04-10 06:36:07 by recoli
[Gaussian] 【求助】高斯自定义基组输入格式 (5/2772) flowers123 2011-04-07 2011-04-09 21:07:28 by flowers123
[Gaussian] 【求助】四个指标都收敛，结果却出现 link 9999错误 (8/1251) foreverpanda 2011-04-08 2011-04-09 20:58:40 by gmy1990
[Gaussian] 【求助】为什么我的Guassian输出文件足足有400多兆？ (7/1194) foreverpanda 2011-04-04 2011-04-09 16:19:26 by chiweijie
[Gaussian] 【讨论】关于吸附的模拟 (1/1354) listarstar 2011-03-25 2011-04-09 16:10:07 by xxcl1999
[Gaussian] 【求助】Guassian03优化分子筛模型中出现的问题，求各位大虾指导 (3/853) foreverpanda 2011-04-08 2011-04-09 15:05:58 by meteoric30
[Gaussian] 【求助】请教各位，G09W 频率计算时如何计算甲烷400K时的热力学性质？谢谢！ (6/1758) freesea 2011-02-20 2011-04-09 11:31:40 by djl2008d
[Gaussian] [关贴]【求助】gaussview 中TS(QST2)是灰色的，怎么办？ (7/3057) xcyqyz5233 2010-11-26 2011-04-09 11:29:42 by djl2008d
[Gaussian] 【求助】gaussian 优化的结构合理吗 (3/1430) xiaoyingw 2011-04-08 2011-04-09 11:20:37 by djl2008d
[Gaussian] 【求助】求助 (0/170) dxjdmy 2011-04-09 2011-04-09 09:24:17 by dxjdmy
[Gaussian] 【求助】位移收敛 力不收敛 (4/1717) angelxsw 2011-04-08 2011-04-09 07:50:52 by angelxsw
[Gaussian] 【求助】迭代过程中的一些语言请教 (1/276) foreverpanda 2011-04-08 2011-04-09 02:24:18 by yalefield
[Gaussian] [关贴]【求助】高斯计算td的问题 (9/3669) ellemiu 2011-03-28 2011-04-08 21:22:15 by yongma2008
[Gaussian] 【求助】力和能量降低 位移震荡 (0/240) angelxsw 2011-04-08 2011-04-08 20:14:10 by angelxsw
[Gaussian] 【求助】求教如何设计gaussian任务体现集群的优势？ (2/275) psfan 2011-04-08 2011-04-08 15:55:17 by psfan
[Gaussian] 【求助】关于外加电荷方法的问题 (3/444) jinwenyang 2011-04-06 2011-04-08 13:34:13 by jinwenyang
[Gaussian] 【求助】急求有关结构优化的问题 (12/1069) happy111839 2011-04-07 2011-04-08 13:09:31 by happy111839
[Gaussian] 【求助】新手求助 怎么计算超极化率？ (7/866) 伟明 2011-03-28 2011-04-08 11:41:59 by 伟明
[Gaussian] 【求助】在用gaussianview 提交任务的时候老出现下面的问题？如图 (5/872) wyez 2011-04-08 2011-04-08 11:18:39 by 鱼妃
[Gaussian] 【求助】急助有关优化结构的问题 (0/221) happy111839 2011-04-08 2011-04-08 07:38:07 by happy111839
[Gaussian] 【求助】100个原子可以做反应过渡态么？其中还包含一个金属 (6/1084) wutongshun 2011-04-06 2011-04-07 23:27:06 by foreverpanda
[Gaussian] 【求助】cif文件导出 (0/553) mountwar 2011-04-07 2011-04-07 22:17:12 by mountwar
[Gaussian] 【求助】IRC计算问题 (16/2730) lijie110 2011-03-24 2011-04-07 21:58:28 by boylc789
[Gaussian] 【讨论】g09中计算激发态性质cis和TD可以混合用？ (2/341) zky322003 2010-12-02 2011-04-07 21:49:05 by woxiangfei
[Gaussian] 【讨论】TDDFT计算中遇到的问题 (0/373) cwdong8309 2011-04-07 2011-04-07 17:08:26 by cwdong8309
[Gaussian] 【求助】C60与5个噻吩优化 (2/339) kathy2008 2011-01-29 2011-04-07 16:24:53 by meteoric30
[Gaussian] 【求助】有机铝醇盐的水解聚合 (0/734) xinglaidor 2011-04-07 2011-04-07 16:02:16 by xinglaidor
[Gaussian] 【求助】求高手指点迷津 这个gaussian程序哪错了啊 (3/744) a-b-c 2011-04-02 2011-04-07 14:58:43 by xj544
[Gaussian] 【求助】关于Mulliken population (2/422) jinwenyang 2011-04-07 2011-04-07 11:55:10 by 375642546
[Gaussian] 【求助】gaussian gen (7/743) chuchu6816 2011-04-01 2011-04-06 18:36:10 by hxbnfylt
[Gaussian] 【求助】Freq中振动模式的归属 (11/1731) hustyh0801 2011-02-21 2011-04-06 16:34:56 by fatpig8832
[Gaussian] 【求助】构象异构体的能垒计算 (5/2504) haibo66878779 2011-03-29 2011-04-06 16:28:55 by fatpig8832
[Gaussian] 【求助】求助：用Gausssum模拟紫外吸收光谱图时的半峰宽是多少呀 ，怎么写 (2/1496) tangss1981 2011-04-05 2011-04-06 08:08:30 by gmy1990
[Gaussian] 【求助】高斯 CCSD l801 错误    ( 1 2 ) (11/1889) xiaofen 2010-01-07 2011-04-05 22:01:23 by beefly
[Gaussian] 【求助】利用Gaussian中PBC模块建模并计算单点能问题，谢谢！ (1/443) luckyheizi 2011-04-03 2011-04-05 19:26:55 by oyljw
[Gaussian] 【求助】密立根电荷和NBO电荷的差异 (4/1862) niuwenyu86 2011-02-26 2011-04-05 19:18:50 by oyljw
[Gaussian] 【求助】IRC    ( 1 2 ) (12/696) 20902006 2010-06-24 2011-04-05 12:57:21 by boylc789
[Gaussian] 【求助】求gausssian view 3 以上windows 版 (1/321) 糖豆豆 2011-04-04 2011-04-05 09:14:36 by mengfc
[Gaussian] 【求助】chk 文件不能正常转为fchk文件是为什么啊 (2/553) 伟明 2011-04-01 2011-04-04 20:35:16 by 伟明
[Gaussian] 【求助】请问大家如何去定义一个gaussian中没有的溶剂？ (3/1295) zhengpc3505 2011-03-13 2011-04-04 09:59:30 by boylc789
[Gaussian] 【求助】Guassian计算Raman，可否设定激光光频率？ (0/333) vividwill 2011-04-03 2011-04-03 17:16:13 by vividwill
[Gaussian] 【求助】得不到稳定的结构，怎么办？ (1/315) Maggie.zhou 2011-04-02 2011-04-03 16:36:02 by aimonkey
[Gaussian] 【求助】TD算光谱out文件求助 (6/911) lmxue 2009-06-26 2011-04-03 00:58:00 by blueybz
[Gaussian] 【求助】输入文件的坐标是Z矩阵还是笛卡尔坐标形式，对固定键长优化的计算结果有没有� (0/396) zhangwc5020 2011-04-02 2011-04-02 20:55:48 by zhangwc5020
[Gaussian] 【求助】Weighted Ensemble Sampling什么意思 (2/361) zhulty 2011-03-31 2011-04-02 15:49:52 by zhulty
[Gaussian] 【求助】求高手指点迷津 急用 (15/1367) 午夜咖啡 2011-03-20 2011-04-02 09:36:55 by 午夜咖啡
[Gaussian] 【求助】急！哪位大侠帮忙算算... (8/1738) phoeby_ice 2011-04-01 2011-04-02 09:16:03 by jiewei
[Gaussian] 【求助】请问我优化好了一个分子之后该怎么改变它的坐标方向？ (5/1038) woxiangfei 2011-04-01 2011-04-02 00:20:11 by fds329
[Gaussian] 【求助】甲醛分子轨道图 (4/2092) chuchu6816 2011-03-25 2011-04-01 21:41:10 by chuchu6816
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