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[热点] 同年申请2项不同项目，第1个项目里不写第2个项目的信息，可以吗 hitsdu 2026-02-08 刚刚
[Gaussian] [已完结]求问：用高斯怎么算electron density (6/2037) dlstella 2011-07-11 2011-07-11 21:27:25 by dlstella
[Gaussian] [已完结]分子前沿轨道GP方程的几个问题 (0/571) conan3020 2011-07-11 2011-07-11 20:20:35 by conan3020
[Gaussian] 求优化 (金币≥5)(0/24) 717414324 2011-07-11 2011-07-11 19:49:14 by 717414324
[Gaussian] [已完结]用高斯计算瞬态吸收时分子轨道后出现A，B是什么意思 (3/1129) ziyundl 2011-07-11 2011-07-11 16:47:26 by lihb734
[Gaussian] [已完结]对称性破损 (3/592) yxk8712 2011-07-04 2011-07-11 10:58:06 by yxk8712
[Gaussian] [已完结]Gaussianview中如何画复杂分子 (5/1666) zhulj 2011-07-10 2011-07-11 07:07:23 by zdf660708
[Gaussian] 【求助】高斯03出错 (9/1894) 陈艳cy 2010-10-24 2011-07-11 00:37:29 by xxuusq
[Gaussian] [已完结]过渡态搜索问题 (3/904) herarysara 2011-07-08 2011-07-09 23:31:33 by 独孤狼
[Gaussian] [已完结]gaussian关键词scan使用    ( 1 2 ) (11/2120) sdu_x 2011-07-07 2011-07-09 10:16:20 by sdu_x
[Gaussian] [已完结]分子力场参数 (0/1081) liuyusuc 2011-07-08 2011-07-08 18:29:49 by liuyusuc
[Gaussian] [已完结]g09与g03的安装 (9/1715) ludeng8710 2011-07-08 2011-07-08 11:43:03 by lxying
[Gaussian] 【求助】windows版molden (4/833) sunlong650 2010-12-07 2011-07-08 10:36:41 by 何清
[Gaussian] [已完结]g03 qmmm 复合物结构优化 奇异的错误：一堆星号 优化不过去 (1/360) cherry@xmc 2011-06-15 2011-07-08 09:37:22 by cherry@xmc
[Gaussian] [已完结]看看我这是怎么个情况？？ (2/345) jingetiema61 2011-07-07 2011-07-08 08:53:47 by jingetiema61
[Gaussian] [已完结]对于MgNi团簇使用什么高精度的方法和基组比较合适 (3/883) nigelallan 2011-07-07 2011-07-08 06:04:33 by mchen10
[Gaussian] [已完结]哪种算法最准确    ( 1 2 ) (10/827) 歪哥正传 2011-07-07 2011-07-08 03:51:51 by tiechong
[Gaussian] 基组使用求教 (6/855) 172304 2011-07-04 2011-07-07 21:43:39 by 172304
[Gaussian] 【求助】怎样用Gaussian计算分子直径？？ (3/2187) 314202528 2010-05-11 2011-07-07 14:24:06 by zhenwenjuan
[Gaussian] [已完结]基组选择 (金币≥200)(2/65) 晓玉儿 2011-07-06 2011-07-07 10:37:22 by 晓玉儿
[Gaussian] [已完结]gaussian使用问题？ (1/256) jingetiema61 2011-07-07 2011-07-07 10:10:51 by gmy1990
[Gaussian] [已完结]gaussview中过渡态频率分析 (5/1119) herarysara 2011-07-06 2011-07-07 09:16:55 by herarysara
[Gaussian] [已完结]原子坐标转换 (0/233) zhufayan 2011-07-06 2011-07-06 22:21:57 by zhufayan
[Gaussian] [已完结]Gaussian中如何计算分子的二面角 (1/801) zhulj 2011-07-06 2011-07-06 20:32:13 by gmy1990
[Gaussian] [已完结]Mp2/6-311+++G(d,p) Freq 频率分析出错，请求帮助。 (4/515) huangry2006 2011-07-04 2011-07-06 14:53:24 by stevenabing
[Gaussian] [已完结]急~gaussian能做哪些MS做不了的东西？gaussian里的DFT与MS中DMOL3模块的DFT有什么区别 (2/1446) 流星雨 2011-07-05 2011-07-06 11:38:37 by 流星雨
[Gaussian] [已完结]gaussian算周期性纳米管 (1/342) xiaoboy185 2011-07-05 2011-07-05 16:06:12 by 043114076
[Gaussian] [已完结]gauss优化求助 (0/413) 锋线杀手 2011-07-05 2011-07-05 15:31:14 by 锋线杀手
[Gaussian] [已完结]问一个小问题 (3/467) wushidi 2011-07-04 2011-07-05 12:21:54 by wushidi
[Gaussian] [已完结]gaussian并行计算 (1/880) rock0927 2011-07-04 2011-07-05 09:21:19 by 冬天里的骄阳
[Gaussian] [已完结]gaussian09 过渡态问题 (5/1899) herarysara 2011-07-04 2011-07-04 18:58:04 by 独孤狼
[Gaussian] [已完结]gaussian09对于2反应物共吸附反应过渡态搜索 (0/277) herarysara 2011-07-04 2011-07-04 11:36:11 by herarysara
[Gaussian] [已完结]求助：gaussian计算出错。 (3/1404) rulongxu 2011-07-04 2011-07-04 10:07:52 by rulongxu
[Gaussian] [已完结]求助：那位仁兄帮忙用高斯或类似的软件算一下下面物质的标准摩尔生成焓，先谢了 (0/1042) guanqiqi 2011-07-04 2011-07-04 09:19:40 by guanqiqi
[Gaussian] [已完结]请问甲酸钾HCOOK的电荷数、自旋多重度分别是0、1吗 (1/320) 西瓜霜 2011-07-03 2011-07-03 09:55:05 by zhou2009
[Gaussian] [已完结]在关核独立化学位移输出结果的问题 (5/814) liuzhengjun0427 2011-07-02 2011-07-02 15:23:25 by liuzhengjun0427
[Gaussian] [已完结]从check文件读取错误 (1/734) zq5536 2011-06-30 2011-07-02 10:56:26 by fatpig8832
[Gaussian] [已完结]高斯优化求助 (7/1651) 锋线杀手 2011-06-30 2011-07-02 10:16:17 by yongleli
[Gaussian] 溶剂化效应A、B、C (5/824) vividelife 2011-06-18 2011-07-02 10:05:43 by zhangmt
[Gaussian] [已完结]体系电导性怎么求啊，是将其中的各原子电导性相加吗 (0/205) liuy1235 2011-07-02 2011-07-02 09:24:45 by liuy1235
[Gaussian] gaussian 03Revison-E01版在Window 下不能并行计算啊! (9/1798) zhficcas 2011-06-17 2011-07-02 09:19:02 by zhangmt
[Gaussian] 关于用G3方法计算的焓变 (0/753) liuhuisfp 2011-07-01 2011-07-01 22:50:54 by liuhuisfp
[Gaussian] [已完结]中间体优化不到 (8/1726) aimonkey 2011-06-01 2011-07-01 20:59:18 by wslnwzj
[Gaussian] g09的IRC有个recorrect step 选项，干嘛用的呢？ (0/507) zhengpc3505 2011-07-01 2011-07-01 20:28:55 by zhengpc3505
[Gaussian] 清华的计算量子化学讲义 (0/257) baoyuan6969 2011-07-01 2011-07-01 20:07:05 by baoyuan6969
[Gaussian] 什么问题啊 (3/299) 天下枫叶 2011-05-24 2011-07-01 16:54:52 by huagai
[Gaussian] 激发态优化 (5/1038) 小鱼-加油 2011-05-31 2011-07-01 16:53:44 by huagai
[Gaussian] CBS-QB3计算 (1/1302) 左边8399 2011-06-15 2011-07-01 16:51:17 by huagai
[Gaussian] G09中如何使用XYG3泛函？ (10/1643) mscic 2011-06-28 2011-07-01 16:47:02 by huagai
[Gaussian] 本人新手，高斯安装在linux的server版本上还是client版本上。谢谢。 (4/941) yyyyyyng 2011-06-30 2011-07-01 16:46:29 by huagai
[Gaussian] 高斯03 (4/419) nan1026feng 2011-07-01 2011-07-01 16:45:11 by huagai
[Gaussian] [已完结]有用Gaussian计算CASSCF/CASPT2的吗？功能怎么样？ (1/1742) chinayhb 2011-07-01 2011-07-01 12:22:51 by beefly
[Gaussian] [已完结]我是一个初学者，请问如何进行激发态优化？谢谢 (2/657) lvjinru 2011-06-13 2011-07-01 08:55:37 by lvjinru
[Gaussian] [已完结]谁用CIS算过激发态，请给我例子 (金币≥1)(1/52) kathy2008 2011-06-28 2011-06-30 20:01:48 by 锋线杀手
[Gaussian] [已完结]新手求助：这个问题能不能用Gaussian处理 (4/805) PBHU 2011-06-29 2011-06-29 11:20:46 by PBHU
[Gaussian] [已完结]紧急求助，谁能帮我优化一个分子，关于氢键的    ( 1 2 ) (12/2225) bingdieduwu 2011-06-27 2011-06-29 08:40:19 by bingdieduwu
[Gaussian] [已完结]三个问题，b3lyp过渡态，nbo能量单位以及CCSD(T) (4/1523) 亍寞 2011-06-28 2011-06-29 06:38:37 by 亍寞
[Gaussian] [已完结]求助文献一篇 (0/267) maomaotu9315 2011-06-28 2011-06-28 15:55:37 by maomaotu9315
[Gaussian] 请教一个问题 (1/213) andy_d 2011-06-28 2011-06-28 09:36:20 by lihb734
[Gaussian] [已完结]gaussian 和gaussian view (金币≥1)(5/98) 20081130071 2011-06-26 2011-06-27 22:57:09 by 20081130071
[Gaussian] [已完结]GaussView-5.0 UV-Vis 光谱的单位是什么？ (1/848) tandz 2011-06-27 2011-06-27 22:03:00 by beefly
[Gaussian] 简单的高斯输出文件处理脚本 (金币≥77)(8/140) Civolf 2011-06-22 2011-06-27 15:44:17 by mjjwhs
[Gaussian] [已完结]想求助一篇关于HF成分对于重组能计算准确性的影响的文章 (1/509) 冰bingice 2011-06-27 2011-06-27 10:16:52 by gyredli
[Gaussian] [已完结]错误L303求大家帮忙问题出在哪里，如何解决！ (0/421) realmanster 2011-06-27 2011-06-27 09:23:34 by realmanster
[Gaussian] 算来算去都跟文献的不一致，何故？    ( 1 2 ) (16/1245) polyhedral 2011-06-16 2011-06-27 08:41:10 by polyhedral
[Gaussian] [关贴]使用counterpoise命令，出现警告 (7/1556) 小白如水 2011-05-10 2011-06-26 12:39:01 by 小白如水
[Gaussian] [已完结]linux下gaussian和gview的操作指南 (0/787) baldeagle109 2011-06-26 2011-06-26 10:14:17 by baldeagle109
[Gaussian] Gview 能有用在ipad2上的版本吗？ (6/904) zhengpc3505 2011-06-25 2011-06-25 22:05:31 by zhengpc3505
[Gaussian] [已完结]BSSE输入文件出现警告 (0/474) 小白如水 2011-06-25 2011-06-25 16:11:43 by 小白如水
[Gaussian] [已完结]帮俺做个优化吧，俺怎么老出错？ (1/260) polyhedral 2011-06-25 2011-06-25 12:23:57 by fatpig8832
[Gaussian] [已完结]能用高斯优化指定某个原子带电荷的离子么？ (9/3570) Swunlly 2011-04-27 2011-06-25 11:11:25 by yongleli
[Gaussian] [已完结]求助 Gaussian计算非谐性频率出错 (0/180) xixi1007 2011-06-25 2011-06-25 09:28:44 by xixi1007
[Gaussian] [已完结]用一台服务器计算需要Linda吗？ (4/742) zhongcm 2011-06-14 2011-06-24 17:56:03 by blueybz
[Gaussian] 为什么使用HF方法计算化学位移,而不是DFT (2/555) 043114076 2011-06-23 2011-06-24 09:56:21 by yongleli
[Gaussian] 【求助】高斯频率计算 (金币≥200)(12/145) 静水四叶草 2011-03-16 2011-06-24 01:13:56 by zpppanda111
[Gaussian] [已完结]关于gaussian计算分子Harmonic 与 Anharmonic frequency的请教？ (1/561) shuo2008 2011-06-23 2011-06-24 01:11:04 by zpppanda111
[Gaussian] [已完结]关于频率计算，求教 (0/307) rjhs 2011-06-23 2011-06-23 16:47:01 by rjhs
[Gaussian] [已完结]IRC计算没收敛 (9/1672) rock0927 2011-06-22 2011-06-23 16:12:45 by rock0927
[Gaussian] [已完结]求助gaussview3.09在linux下的安装文件 (1/368) baldeagle109 2011-06-23 2011-06-23 14:58:51 by 独孤狼
[Gaussian] [已完结]opt=TS 循环步骤问题 (7/2686) 亍寞 2011-06-23 2011-06-23 14:56:55 by 亍寞
[Gaussian] [已完结]求助diffusion functional 的含义 (6/631) bingdieduwu 2011-06-22 2011-06-23 12:39:57 by bingdieduwu
[Gaussian] [已完结]高斯错误代码是1804，这是什么原因啊？ (2/600) Captain-Jack 2011-06-21 2011-06-23 10:52:27 by Captain-Jack
[Gaussian] [已完结]高斯并行求助 (2/672) flowers123 2011-04-30 2011-06-23 10:29:15 by flowers123
[Gaussian] CP校正和势能面扫描 (2/471) liuyusuc 2011-06-21 2011-06-23 10:23:36 by flowers123
[Gaussian] [已完结]Zindo 的 计算范围是 多大？第四周期能算吗 (1/354) vallen 2011-06-22 2011-06-22 21:50:09 by beefly
[Gaussian] 【求助】怎样扫势能面啊！    ( 1 2 ) (14/2163) haibo66878779 2010-05-17 2011-06-22 19:50:51 by 天下枫叶
[Gaussian] [已完结]请问审稿人意见如何回答？ (7/1672) lorna639 2011-06-20 2011-06-22 19:18:46 by lorna639
[Gaussian] 高斯 红外光谱归属问题 (2/941) liuyusuc 2011-06-13 2011-06-22 16:39:14 by liuyusuc
[Gaussian] [已完结]gaussian03计算出的拉曼光谱数据怎么在orgin中作图？ (6/2460) iacwj03 2011-06-13 2011-06-22 10:56:45 by yhaih52
[Gaussian] [已完结]求助用G98算一个结构的单点能 (8/1045) zln1987 2011-06-20 2011-06-21 16:34:37 by 独唱团
[Gaussian] [已完结]如何用chk文件继续计算 (3/2085) herarysara 2011-06-20 2011-06-21 15:12:19 by herarysara
[Gaussian] [已完结]帮我计算下这两个分子的HOMO,HOMO+1，LUMO,LUMO+1吧，谢谢 (8/1543) yehuoo 2011-06-21 2011-06-21 13:27:11 by gmy1990
[Gaussian] gen的用法 (1/588) bluejh 2011-06-21 2011-06-21 12:09:47 by gmy1990
[Gaussian] [已完结][关贴]计算频率出错 (0/288) flash8407 2011-06-21 2011-06-21 09:40:23 by flash8407
[Gaussian] [已完结]高斯中的ONIOM是什么意思 (1/1663) hxtlc 2011-06-21 2011-06-21 09:38:45 by 独孤狼
[Gaussian] [已完结]高斯中每个振动的约化质量是如何计算出来的 (4/2782) liuyusuc 2011-06-18 2011-06-20 18:05:24 by liuyusuc
[Gaussian] 【求助】高斯收敛出错 (4/1160) lingznpmg 2011-03-24 2011-06-20 16:09:13 by hairan
[Gaussian] [已完结]偶极矩向量M的对称性 (评阅+100) (7/851) gmy1990 2011-06-20 2011-06-20 16:08:11 by gmy1990
[Gaussian] [已完结]过渡态查找 (4/514) rulongxu 2011-06-20 2011-06-20 10:24:21 by 独孤狼
[Gaussian] [已完结]量化反应 (1/437) herarysara 2011-06-20 2011-06-20 10:19:58 by 独孤狼
[Gaussian] [已完结]怎么用高斯算激发态? (3/829) kekemi_1127 2011-06-14 2011-06-19 22:29:40 by kekemi_1127
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