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[热点] 304求调剂 52hz~~ 2026-03-01 刚刚
[Gaussian] [已完结]homo和lumo批量提取的脚本    ( 1 2 3 ) (24/2885) 秋雨子 2011-12-05 2011-12-13 23:43:07 by 秋雨子
[Gaussian] [关贴]gaussianview跟gaussian 0.3的用途区别是什么？ (12/3482) tbfyh 2011-12-08 2011-12-13 20:53:14 by ylansedahai
[Gaussian] [已完结]求教大家Gaussian对混合物怎样进行建模？？ (1/214) yanwuyu123 2011-12-13 2011-12-13 16:09:27 by yanwuyu123
[Gaussian] [已完结]官能团电荷 (4/1174) bubuweiying 2011-12-12 2011-12-13 13:51:48 by sobereva
[Gaussian] 做计算的人儿，，你们的时间主要花在什么上面了？ (16/1240) xuetong5207 2011-12-10 2011-12-13 11:19:33 by chouchao
[Gaussian] [已完结]求详解，如何用扫描的方法寻找过渡态的稳定构型 (2/454) lion0528 2011-12-12 2011-12-13 09:59:11 by ryxiao
[Gaussian] [已完结]弱问G3计算能量 (3/891) ryxiao 2011-12-12 2011-12-13 09:09:45 by 静水四叶草
[Gaussian] [已完结]计算含Pt的体系时方法和基组的问题 (0/393) honeypeng 2011-12-12 2011-12-12 20:47:06 by honeypeng
[Gaussian] [已完结]HOMO LUMO的alpha beta MOs数值为什么是一样的 (0/1290) mcv 2011-12-12 2011-12-12 20:35:31 by mcv
[Gaussian] [已完结]初始构型的选择 (3/647) 婷婷-啦啦 2011-12-12 2011-12-12 19:59:21 by gkf高
[Gaussian] [已完结]关于能量问题 (1/392) happy111839 2011-12-08 2011-12-12 15:03:22 by zhangmt
[Gaussian] [已完结]小白求问qst2中如何保持原子顺序一致 (2/602) LinaInverse 2011-12-10 2011-12-12 14:55:43 by 一个人的安静
[Gaussian] [已完结]gaussian 氢转移机理 (0/357) 伶仃未了 2011-12-12 2011-12-12 10:57:16 by 伶仃未了
[Gaussian] [已完结]AOMix 程序在计算CDA时出现了问题 (0/259) A-303 2011-12-12 2011-12-12 09:27:29 by A-303
[Gaussian] [已完结]关于固定部分原子得到的优化结构 零点能校正 (0/321) nnipp 2011-12-08 2011-12-12 09:01:30 by nnipp
[Gaussian] [已完结]高斯计算单重激发态和三重激发态一问 (0/1728) peterman 2011-12-11 2011-12-11 20:15:14 by peterman
[Gaussian] [已完结]如何计算金属络合物中的三重态到基态的光谱发射 (0/363) 迷茫的小飞侠 2011-12-11 2011-12-11 19:09:48 by 迷茫的小飞侠
[Gaussian] [已完结]怎么在Gaussian view中显示分子结构的键长 (3/4109) sunzhiguo 2011-12-09 2011-12-11 14:19:52 by 伟明
[Gaussian] [已完结]高斯中使用混合基组出错 (0/1329) lion0528 2011-12-11 2011-12-11 11:35:37 by lion0528
[Gaussian] [已完结]gaussian 中断，但是没有任何错误提示·········· (0/381) Illusionist 2011-12-10 2011-12-11 09:52:44 by Illusionist
[Gaussian] [已完结]如何使Gaussian03w软件实现一个文件一个文件的联算？ (1/251) zhangxin8852 2011-12-09 2011-12-11 08:35:59 by mchen10
[Gaussian] [已完结]win7下内存调用问题 (4/728) 伶仃未了 2011-12-10 2011-12-10 21:20:28 by 后来1206
[Gaussian] [已完结]gaussiew和gaussian兼容的问题 (0/418) beihai722 2011-12-10 2011-12-10 09:54:52 by beihai722
[Gaussian] [已完结]【求助】求3-4万元塔式服务器配置单。 (6/1119) loovfnd 2011-12-08 2011-12-09 19:09:07 by Jasminer
[Gaussian] [已完结]B3LYP*在Gaussian里的输入是怎样的 (5/1170) Jenny0428 2011-12-07 2011-12-09 16:42:36 by qinghui0201
[Gaussian] 高斯求助 (4/427) liuqiang2270 2011-11-30 2011-12-09 12:52:17 by liaosdu
[Gaussian] [已完结]G09续算问题 (2/903) ldzh0531 2011-12-04 2011-12-09 10:01:40 by gujing136
[Gaussian] [已完结]求高斯计算步骤 (6/1131) moqing1991 2011-12-08 2011-12-09 09:50:36 by gujing136
[Gaussian] [已完结]选修课考试---高斯 (0/271) liuqiang2270 2011-12-08 2011-12-08 17:45:29 by liuqiang2270
[Gaussian] [已完结]过渡态求助，想知道有哪些问题，总是出现错误，请各位大侠帮忙指正下，不胜感激！ (1/325) sigma92286 2011-12-07 2011-12-08 10:58:01 by xiongb123456
[Gaussian] 【求助】帮忙算一个有机小分子的长度和宽度 (13/1977) bingling1012 2011-01-18 2011-12-08 10:45:29 by pumf
[Gaussian] [已完结]小基组找TS大基组算能量 (2/812) ryxiao 2011-12-05 2011-12-08 10:28:50 by xiongb123456
[Gaussian] [已完结]急！！！使用AV5Z基组计算Kr原子的单点输入文件出错 (4/1139) lion0528 2011-12-06 2011-12-07 13:18:51 by lion0528
[Gaussian] [已完结]算出的虚频 很多而且很大 怎么办怎么办    ( 1 2 ) (12/1020) wynli 2011-12-05 2011-12-07 13:12:48 by 静水四叶草
[Gaussian] [已完结]高斯计算节点的问题 (3/1417) gujing136 2011-12-06 2011-12-07 10:41:15 by zhangmt
[Gaussian] [已完结]关于过渡态求助 (4/768) luyating2005 2011-12-05 2011-12-07 10:41:14 by jinhua1983
[Gaussian] [已完结]求助关于过渡态 (0/223) happy111839 2011-12-07 2011-12-07 10:05:22 by happy111839
[Gaussian] [已完结][关贴]校正值求助 (0/244) xchem6628 2011-12-07 2011-12-07 09:59:05 by xchem6628
[Gaussian] [已完结]算bsse的时候，出现508错误，怎么办 (1/256) wynli 2011-12-01 2011-12-07 08:30:23 by wynli
[Gaussian] [已完结]请大牛帮忙解决一下这个错误的问题 (2/676) colinmacrean 2011-12-06 2011-12-07 00:29:58 by zhangmt
[Gaussian] [已完结]溶剂效应模型求助 (2/498) xiongb123456 2011-11-28 2011-12-06 21:42:20 by emmaxue
[Gaussian] [已完结]如何Scan两分子距离引起的能量差 (5/659) Illusionist 2011-12-05 2011-12-06 14:33:53 by lion0528
[Gaussian] [已完结]gaussian09结构优化问题 linux系统 (0/294) truelove 2011-12-06 2011-12-06 13:27:15 by truelove
[Gaussian] [已完结][关贴]高斯如何可以比较酸性大小 (0/608) kyber 2011-12-06 2011-12-06 12:01:20 by kyber
[Gaussian] [已完结]高斯输入文件出错 (6/1628) keepss 2011-12-04 2011-12-05 21:15:21 by xiongb123456
[Gaussian] [已完结]求问 g09的 bashrc怎么写    ( 1 2 ) (18/2147) NUPT 2011-11-29 2011-12-05 16:43:43 by usoado
[Gaussian] [已完结]电荷相同，多重度不同的两个化合物可以做QST2找过渡态吗？ (5/1368) takeeasy123 2011-12-02 2011-12-05 09:01:43 by takeeasy123
[Gaussian] [已完结]gaussview原子标号的问题 (3/1528) ldzh0531 2011-12-02 2011-12-04 23:19:05 by 书万里
[Gaussian] [已完结]pcm 计算301出错 (2/427) liyongxiu 2011-12-03 2011-12-04 21:35:15 by liyongxiu
[Gaussian] [已完结]该物质是对称结构，计算结果却是HOMO在左，LUMO在右。 (9/1631) Illusionist 2011-12-03 2011-12-04 15:28:51 by Jasminer
[Gaussian] [已完结]怎么样计算分子的三重态 (0/1127) 迷茫的小飞侠 2011-12-04 2011-12-04 10:43:06 by 迷茫的小飞侠
[Gaussian] [已完结]B3LYP/6-311+G(2d),SDD    ( 1 2 ) (10/1727) xchem6628 2011-12-02 2011-12-04 07:35:14 by agent99
[Gaussian] [已完结]请问，质子的能量如何计算？ (2/1443) wanlichuan 2011-12-03 2011-12-04 00:18:54 by wangth0921
[Gaussian] Gaussian的计算结果，大家一般用啥软件来做构型图？    ( 1 2 ) (13/1655) xiaowandouer 2011-11-23 2011-12-03 13:09:15 by tangbaowei
[Gaussian] [已完结]求助高斯自带例子H3CO---->H2COH的计算 (2/869) tiramisu0217 2011-11-15 2011-12-03 13:06:29 by tangbaowei
[Gaussian] [已完结]TD计算出来的UV-VIS··搞不懂啊··求助 (2/544) Illusionist 2011-12-03 2011-12-03 10:41:12 by 飘逸110
[Gaussian] [已完结]一个用内坐标写的输入文件错误，希望能有人指点我 (5/954) takeeasy123 2011-11-30 2011-12-03 08:31:19 by takeeasy123
[Gaussian] [已完结]新手求助ECD计算输入语句 (1/485) furoc 2011-12-02 2011-12-03 07:55:36 by furoc
[Gaussian] [已完结]求问一般优化小分子结构用什么方法和机组    ( 1 2 ) (10/4038) rui_1 2011-06-15 2011-12-02 17:00:34 by yjcmwgk
[Gaussian] [已完结]L301错误    ( 1 2 ) (11/1261) lion0528 2011-11-30 2011-12-02 14:29:56 by lion0528
[Gaussian] [已完结]【求助】gview向Gaussian03提交submit是灰色是什么问题？ (1/456) keepss 2011-12-02 2011-12-02 12:03:10 by keepss
[Gaussian] [已完结]过渡态优化出错，急！    ( 1 2 ) (11/971) sigma92286 2011-11-29 2011-12-02 10:46:02 by bluesky8588
[Gaussian] [已完结]Wrong number of Negative eigenvalues: Desired= 1 Actual= 2 (0/952) ryxiao 2011-12-01 2011-12-01 23:30:05 by ryxiao
[Gaussian] [已完结]如何用高斯程序计算不规则分子的分子半径？ (0/281) wutongshun 2011-12-01 2011-12-01 20:25:55 by wutongshun
[Gaussian] 有时候b3lyp比mp2准啊 (4/1004) tiechong 2011-11-28 2011-12-01 17:46:27 by boylc789
[Gaussian] [已完结]好心人有gaussian吗 (0/205) lplunanjing 2011-12-01 2011-12-01 17:41:59 by lplunanjing
[Gaussian] [已完结]不同多重度的反应物得到的产物应该是什么多重度？ (0/287) lwg020810 2011-12-01 2011-12-01 15:42:09 by lwg020810
[Gaussian] [已完结]大家动员一下帮忙把iop 翻译成中文版吧 (4/1246) I08140321 2011-11-30 2011-12-01 12:00:24 by I08140321
[Gaussian] [已完结][关贴]ONIOM MM function not complete (0/1052) mengyan142 2011-12-01 2011-12-01 11:02:22 by mengyan142
[Gaussian] [已完结]L801错误，请高手解答 (1/719) xuetong5207 2011-12-01 2011-12-01 09:59:04 by xuetong5207
[Gaussian] [已完结]gauss输入文件中那个原子X是什么意思 (3/1022) lstone03 2011-11-30 2011-12-01 08:28:40 by tudoudigua
[Gaussian] [已完结]初学者求解关于高斯09 TDDFT 计算遇到的输出问题 (0/526) skkuwei 2011-11-30 2011-11-30 20:12:39 by skkuwei
[Gaussian] [已完结]G03或G09中G3/99基组的使用 (0/271) licaiqin 2011-11-30 2011-11-30 16:27:23 by licaiqin
[Gaussian] [已完结]势能面扫描求助 (1/515) 飘逸313 2011-11-07 2011-11-30 14:13:25 by Captain-Jack
[Gaussian] [已完结]含有多Cp 环的物质优化 虚频去除 (1/397) luoronggen 2011-09-16 2011-11-30 13:39:58 by 大脸伟
[Gaussian] [已完结]G09中的荧光计算部分的例子，第四部分 (2/551) Illusionist 2011-11-30 2011-11-30 11:44:44 by Illusionist
[Gaussian] [已完结]怎么用gaussian计算不同激发波长下拉曼光谱 (5/1715) iacwj03 2011-06-16 2011-11-29 19:38:47 by 香水百合519
[Gaussian] LiH+NH3BH3的过渡态，快崩溃了 (14/1532) Trouton 2011-11-28 2011-11-29 13:05:29 by 毛毛爱奋斗
[Gaussian] [已完结]G09计算中断link died (3/1121) ldzh0531 2011-11-28 2011-11-29 11:39:28 by ldzh0531
[Gaussian] [已完结]高斯运算出错 (0/783) 会飞的种子 2011-11-28 2011-11-28 19:52:26 by 会飞的种子
[Gaussian] [已完结]新手求助关于G09计算小分子化合物旋光的时间问题 (0/356) furoc 2011-11-28 2011-11-28 19:45:51 by furoc
[Gaussian] [已完结]高斯的溶剂化模型选择？ (2/4982) xiongb123456 2011-11-28 2011-11-28 16:19:05 by iconsdkxq7
[Gaussian] [已完结]checkpoint file (2/301) dreamyeye 2011-11-22 2011-11-28 15:12:30 by dreamyeye
[Gaussian] [已完结]高斯03软件基础运用（gaussian03） (2/621) cqsg1987512 2011-11-27 2011-11-28 14:23:31 by linzhongaiguo
[Gaussian] [已完结]总是出现错误提示：Error termination in NtrErr: NtrErr Called from FileIO (5/2586) melody_sara 2011-11-24 2011-11-28 12:46:26 by melody_sara
[Gaussian] [已完结]G09计算问题 (9/2012) ldzh0531 2011-11-21 2011-11-28 09:54:29 by 雨晨田木
[Gaussian] [已完结]delete (VIP≥65535)(2/36) xiaopengs 2011-11-27 2011-11-27 21:31:10 by hlma_ustc
[Gaussian] 类似这种裂解反应怎样求速率常数 (1/442) gengcy 2011-11-27 2011-11-27 19:29:13 by wangth0921
[Gaussian] [已完结]怪异的虚频 (0/247) 316087021 2011-11-27 2011-11-27 17:11:14 by 316087021
[Gaussian] [已完结]m05-2x方法计算开壳层单态时需要用什么关键词 (0/408) licaiqin 2011-11-24 2011-11-27 10:49:10 by licaiqin
[Gaussian] [已完结]高斯计算mulinkin电荷 (1/1178) hoowenhao 2011-11-25 2011-11-27 10:47:30 by 阿泰斯特
[Gaussian] [已完结]求 gaussview 的linux版 (1/372) lyc2007 2011-11-27 2011-11-27 09:58:09 by ben_ladeng
[Gaussian] [已完结][关贴]求gaussview5.08 (3/780) wsyfenglang 2011-11-23 2011-11-26 21:43:57 by tudoudigua
[Gaussian] [已完结][关贴]请问高斯计算石墨烯使用哪个机组最合适？ (2/1587) listarstar 2011-11-25 2011-11-26 18:21:29 by listarstar
[Gaussian] [已完结]电子数判断 (3/652) 可米kemi 2011-11-22 2011-11-26 14:40:48 by zhongrl898
[Gaussian] [已完结]G09中碘的基组输入问题 (6/2275) ldzh0531 2011-11-24 2011-11-25 23:08:31 by wangth0921
[Gaussian] [已完结]计算过渡态求助 (4/889) liuliuji 2011-11-24 2011-11-25 12:12:08 by ryxiao
[Gaussian] [已完结][关贴]关于BλLYP这个泛函的高斯输入 (1/371) yxk8712 2011-11-23 2011-11-25 10:26:44 by yxk8712
[Gaussian] [已完结]算偶极矩和跃迁偶极矩求助！！！ (1/1399) 1010500 2011-11-23 2011-11-25 09:00:04 by 1010500
[Gaussian] [已完结]好心人给传个gaussian03的例子文件夹吧！ (2/408) 虫尾巴 2011-11-24 2011-11-24 23:32:09 by scottfreedom
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