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[热点] 为什么国自然不能直接公布 bjdxyxy 2026-08-29 刚刚
[Gaussian] [已完结]CPCM模型计算溶剂化效应 能量输出问题 (1/1862) lqj111 2012-02-27 2012-02-27 20:36:10 by lqj111
[Gaussian] [已完结]如何固定键长进行优化 (3/2561) luyating2005 2012-02-24 2012-02-27 19:09:06 by fg5828
[Gaussian] [已完结]用CASSCF计算激发态时轨道能不能完全限制不动，请大家分享一下经验 (1/616) 316087021 2012-02-27 2012-02-27 13:22:49 by yqzhang6518
[Gaussian] 关于键级和键长的疑惑 (9/2453) jingetiema61 2012-02-24 2012-02-27 10:16:46 by jingetiema61
[Gaussian] [已完结]可否利用Gaussian 模拟该反应 (0/329) tangshi141 2012-02-26 2012-02-26 21:40:39 by tangshi141
[Gaussian] [已完结]【求助】有关CCSD(T)输出文件 (1/417) hlq3175 2012-02-26 2012-02-26 17:13:56 by zhou2009
[Gaussian] [已完结]怎么做anharmonic corrections？求大家帮助 (4/721) suncedar 2011-11-04 2012-02-26 11:31:07 by polaris2
[Gaussian] [已完结]乙氧基三甲基硅烷的分子动力学直径是多少 (2/542) wzj0523017 2012-02-23 2012-02-25 20:36:29 by wzj0523017
[Gaussian] [已完结]请教大家，我这个计算时用不用加上锌呢？ (2/360) ghyyhl 2012-02-24 2012-02-25 18:06:20 by ghyyhl
[Gaussian] [已完结]求助高斯能量计算问题 (6/2281) realmanster 2012-02-24 2012-02-25 15:47:38 by usoado
[Gaussian] [已完结]关于赝势基组SDD effective core potentials accompanying VDZ basis set如何输入？ (2/1204) acnes 2012-02-25 2012-02-25 15:21:17 by acnes
[Gaussian] [已完结]关于虚频的问题 (1/522) wyhzj1987 2012-01-03 2012-02-25 13:49:20 by 一起来化学
[Gaussian] [已完结]L999错误 (1/873) efeyer 2012-02-22 2012-02-24 21:49:18 by 一起来化学
[Gaussian] Gaussian 09 C01比B01和A02有哪些功能和技术上的改进 (7/2449) tiancj 2012-02-23 2012-02-24 12:26:18 by yjcmwgk
[Gaussian] [已完结]请教一下15%的HF交换是哪种方法，求相关资料    ( 1 2 ) (11/1859) licaiqin 2012-02-23 2012-02-24 11:37:49 by licaiqin
[Gaussian] [已完结]Amimimum has been detected on the LST pathway。Error l107.exe 请高手指教 (0/371) 316087021 2012-02-24 2012-02-24 10:42:56 by 316087021
[Gaussian] [已完结]guassian中能不能计算CASPT2。如果可以能不能告诉我关键词 (8/2208) 316087021 2012-02-23 2012-02-24 10:38:24 by israelxi
[Gaussian] [已完结]一个物质在不同溶剂中能量能否进行比较以说明稳定性？    ( 1 2 ) (12/1665) ludeng8710 2012-01-04 2012-02-24 10:17:00 by lqj111
[Gaussian] 换了方法，就找不到过渡态了？ (5/1261) dogone 2012-02-23 2012-02-24 08:55:28 by quantumor
[Gaussian] [已完结]求助分子直径 (0/257) 六月的兔子 2012-02-23 2012-02-23 22:49:47 by 六月的兔子
[Gaussian] [已完结]请高手指点 End of file in GetChg. 出错的原因 (8/1985) 316087021 2012-02-22 2012-02-23 18:32:04 by 316087021
[Gaussian] 【讨论】过渡态能量可能比反应物低吗？无势垒反应过程是否也会存在过渡态？ (5/3410) Jldbaobei 2010-12-03 2012-02-23 09:31:52 by lishijunzong
[Gaussian] [已完结]Gaussian计算一对异构体旋光，结果为何会相近，而非相反？ (0/444) furoc 2012-02-23 2012-02-23 08:19:18 by furoc
[Gaussian] [已完结]四个收敛条件前两个不收敛 (2/355) nyzhaoyin 2012-02-22 2012-02-23 00:26:17 by nyzhaoyin
[Gaussian] [已完结]irc关于力常数的问题 (0/318) ldzh0531 2012-02-22 2012-02-22 20:11:45 by ldzh0531
[Gaussian] [已完结]高斯中计算磁距的输入参数 (0/314) wangla 2012-02-20 2012-02-22 19:16:45 by wangla
[Gaussian] [已完结]结构能量收敛问题 (4/757) huakai8710 2012-02-21 2012-02-22 18:09:07 by nyzhaoyin
[Gaussian] 贡献一个关于gaussian运算出错的网站 (20/2502) ryxiao 2011-11-29 2012-02-22 11:50:30 by yanglina062
[Gaussian] 生成自由基的反应过渡态自旋是多少？ (0/1096) auybv 2012-02-22 2012-02-22 09:31:37 by auybv
[Gaussian] [已完结]如何计算团簇的裂解能 (3/1009) cug_zhang 2011-10-28 2012-02-22 00:06:04 by ?堨�
[Gaussian] [已完结]过渡态高手看看，帮忙解决如何寻找这个反应的过渡态 (6/1929) wsyfenglang 2011-05-23 2012-02-21 10:56:02 by xiaoying16
[Gaussian] [已完结]【求助】guassian09中有关Cs 共面 CCSD(T)的问题 (3/1318) hlq3175 2012-02-20 2012-02-21 09:59:38 by zhou2009
[Gaussian] [已完结]Gaussion 读取输入文件出错 (7/1694) lin111ok 2012-02-20 2012-02-21 09:29:17 by 思雨G十年
[Gaussian] [已完结][关贴]激发态优化出现问题 (0/1985) 医无止境 2012-02-21 2012-02-21 08:18:13 by 医无止境
[Gaussian] [已完结]固定原子坐标优化出错，方法试尽，继续求助高手 (0/1368) muxiachuixue 2012-02-20 2012-02-20 19:48:19 by muxiachuixue
[Gaussian] [已完结]怎样向Gaussion中输入分子结构 (5/1719) 追风de老头子 2012-02-18 2012-02-20 19:02:23 by jingetiema61
[Gaussian] [已完结]史上最难，高手请进！ (9/2338) 军拥天下 2011-05-21 2012-02-20 18:01:46 by major016
[Gaussian] [已完结]高斯计算死于9999 (8/2568) 乐逍遥741 2012-02-15 2012-02-20 16:53:00 by 乐逍遥741
[Gaussian] [已完结]Gaussian计算NMR个别原子误差大该怎么调整 (8/3229) furoc 2012-02-19 2012-02-20 15:39:57 by furoc
[Gaussian] 【求助】高斯计算出现Fatal Problem: The smallest alpha delta epsilon is -0.785373 (7/4330) bjwang 2011-01-31 2012-02-20 10:31:25 by 虫尾巴
[Gaussian] [已完结]相对能量变化曲线的画法 (2/820) 肖潇 2012-02-20 2012-02-20 09:31:56 by 肖潇
[Gaussian] [已完结]二氧化铊TlO2计算能量 (0/624) ryxiao 2012-02-20 2012-02-20 07:35:43 by ryxiao
[Gaussian] [已完结]求助：gaussian中，优化HI没有合适的基组，总是出错，1301错误 (6/2149) dream1021 2012-02-11 2012-02-19 15:27:50 by lishijunzong
[Gaussian] [已完结]Gaussian :#2061 错误 (2/1277) sesy 2012-02-17 2012-02-19 10:02:53 by sesy
[Gaussian] [已完结]关于优化后结果的使用问题 (0/269) furoc 2012-02-18 2012-02-18 19:44:00 by furoc
[Gaussian] [已完结]奇怪    ( 1 2 ) (15/951) zhficcas 2012-02-17 2012-02-18 14:51:27 by zhficcas
[Gaussian] [已完结]Gaussian单点能计算时，能否用某个关键词单独输出库伦势 (0/474) zhangxie919 2012-02-18 2012-02-18 11:35:40 by zhangxie919
[Gaussian] [已完结]ONIOM优化，l9999后restart报错 (2/974) minatomirai 2012-02-15 2012-02-18 10:31:41 by mophyworld
[Gaussian] [已完结]重金求助HOMO/LUMO问题 (5/2510) 锋线杀手 2012-02-15 2012-02-18 10:26:40 by 锋线杀手
[Gaussian] [已完结]很诡异的一个现象！ (1/407) Captain-Jack 2012-02-17 2012-02-18 09:17:58 by zhficcas
[Gaussian] [已完结]gaussian自选多重度的输入问题 (3/1760) hryang 2012-02-15 2012-02-18 09:07:42 by hryang
[Gaussian] [已完结]homo lumo的颜色能否分析反应发生的方式 (4/1118) dingniu2 2012-02-17 2012-02-17 21:43:10 by dingniu2
[Gaussian] [已完结][关贴]优化 (4/535) liudiwen 2012-02-16 2012-02-17 09:04:35 by hanpeng972
[Gaussian] [已完结]稀土La的SDD基组输入求教 (3/1154) 172304 2012-02-15 2012-02-17 08:26:38 by 172304
[Gaussian] [已完结]紫外计算 (5/972) 461018249 2012-02-16 2012-02-16 15:28:32 by 461018249
[Gaussian] [已完结]氢原子在优化过程中从氨基上跑到羧基上去了 (9/1129) helitrope 2012-02-14 2012-02-16 15:01:43 by Jasminer
[Gaussian] [已完结]分解机理 (0/247) 至秦helen 2012-02-16 2012-02-16 14:54:31 by 至秦helen
[Gaussian] [已完结][关贴]如何固定分子 (4/521) liudiwen 2012-02-14 2012-02-16 11:34:22 by liudiwen
[Gaussian] [已完结]诚心求教，如何scan。 回复即散分 (2/398) Illusionist 2012-02-14 2012-02-16 11:03:52 by kaegi
[Gaussian] 计算的HOMO/LUMO和实验的趋势不一致，自己倒是吻合的非常好 (8/1720) 雨晨田木 2012-01-12 2012-02-16 10:27:29 by 雨晨田木
[Gaussian] [已完结]急急! (5/450) liudiwen 2012-01-06 2012-02-16 09:43:16 by nnipp
[Gaussian] 【求助】怎样分析分子间相互作用体系的能量强弱 (4/1831) gothicfat 2010-09-18 2012-02-15 15:06:29 by zhengyanli
[Gaussian] [已完结]BSSE校正 (7/2011) 乐逍遥741 2012-02-12 2012-02-15 10:29:41 by 乐逍遥741
[Gaussian] [已完结]弱问一个溶剂模型 (2/441) ryxiao 2012-02-14 2012-02-15 06:39:42 by ryxiao
[Gaussian] [已完结]自旋密度问题 (1/393) caozf 2012-02-14 2012-02-14 10:24:00 by zhficcas
[Gaussian] 拜师。。。 (1/352) jingetiema61 2012-02-13 2012-02-14 06:08:05 by 独唱团
[Gaussian] [已完结]关于gaussian中Au的基组 (0/396) topten-gg 2012-02-14 2012-02-14 01:49:12 by topten-gg
[Gaussian] [已完结]关于GAUSS计算 (1/664) 大脸伟 2012-02-10 2012-02-14 00:42:41 by JimKarrey
[Gaussian] [已完结]适用于Ir金属配合物的泛函有哪些？ (2/431) 会飞的种子 2012-02-12 2012-02-13 22:38:08 by recoli
[Gaussian] [已完结]【求助】ESP跟Total density在分析反应性的时候 有什么区别啊 (3/999) 慢三儿 2012-01-14 2012-02-13 22:04:24 by 慢三儿
[Gaussian] 【绘图】求助用GV怎么画盐分子    ( 1 2 ) (13/2363) liuxianlv 2010-07-05 2012-02-13 19:31:20 by liaosdu
[Gaussian] 【求助】如何将CIF文件通过mercury转化成GV识别的文件    ( 1 2 ) (12/2321) 发烧趁早 2010-09-27 2012-02-13 19:28:15 by liaosdu
[Gaussian] [已完结]速率常数的计算 (0/452) zm_tbw 2012-02-13 2012-02-13 18:10:37 by zm_tbw
[Gaussian] [已完结]（BCO）3+阳离子环上有几个pi电子 (9/1205) 乐逍遥741 2012-02-11 2012-02-13 10:20:14 by 乐逍遥741
[Gaussian] [已完结]Stuttgart RSC 基组计算出现问题 (1/438) 20928140 2012-02-12 2012-02-13 09:50:16 by 20928140
[Gaussian] [已完结]请教，关于用gaussview看分子轨道 (8/2924) 雪狼790 2011-06-10 2012-02-12 18:10:02 by TimXu
[Gaussian] [已完结]优化晶体结构中的氢原子 (0/456) chaowen1314 2012-02-11 2012-02-11 17:32:02 by chaowen1314
[Gaussian] [已完结]过渡态图的画法急用，谢！！ (4/2477) zhaoyxcas 2012-02-10 2012-02-11 16:56:19 by wxb711320
[Gaussian] [已完结]如何用高斯计算乙醛和乙腈反应的可能性 (0/647) aywater 2012-02-11 2012-02-11 10:21:27 by aywater
[Gaussian] [已完结]网上找到的基组如何导入高斯使用？ (3/2768) limj 2012-02-10 2012-02-10 21:56:42 by nyzhaoyin
[Gaussian] [已完结]自定义机组发生错误 (7/1503) helitrope 2012-02-10 2012-02-10 17:35:15 by helitrope
[Gaussian] [已完结]急！！！使用不同基组计算同一芳环上的碳的输入文件格式！！！ (7/1559) lion0528 2011-09-28 2012-02-10 16:31:33 by lion0528
[Gaussian] [已完结][关贴]求gaussian view for linux (3.09或4.12版本for linux) (0/336) chj787 2012-02-10 2012-02-10 12:21:30 by chj787
[Gaussian] [已完结]金属离子输入文件中自旋多重度问题 (0/1436) lifei_dut 2012-02-10 2012-02-10 11:42:02 by lifei_dut
[Gaussian] [已完结]IRC验证的英语表达 (4/1135) zhaoyxcas 2012-01-10 2012-02-10 11:05:34 by zhaoyxcas
[Gaussian] [已完结]基组含义    ( 1 2 ) (10/3369) 静水四叶草 2012-01-07 2012-02-10 10:24:12 by 静水四叶草
[Gaussian] [已完结]过渡态频率    ( 1 2 ) (13/1322) 静水四叶草 2012-01-09 2012-02-10 10:18:08 by 静水四叶草
[Gaussian] [已完结]关于IRC的问题 (0/363) aimonkey 2012-02-10 2012-02-10 08:58:49 by aimonkey
[Gaussian] [已完结]G09无任何报错情况下停止（结构优化） (0/364) rainandstar 2012-02-09 2012-02-09 21:48:17 by rainandstar
[Gaussian] [已完结]新手求助：gaussian03里怎么进行势能面扫描计算！    ( 1 2 ) (10/3688) fhqwfn123 2011-04-19 2012-02-09 19:28:20 by 游子8921
[Gaussian] [已完结]高斯扫势能面的问题 (5/1753) asaki 2011-05-19 2012-02-09 17:08:40 by liupei87
[Gaussian] gaussian可以计算分子的电子传输能力吗？ (14/1453) yumu0411 2012-01-16 2012-02-09 16:53:47 by liupei87
[Gaussian] [已完结]有关电势面扫描的问题，急！！！！！！！！！ (4/1629) zhangdi6802 2011-05-09 2012-02-09 14:36:20 by 游子8921
[Gaussian] [已完结]单点能计算 结构发生改变 (8/1376) efeyer 2011-11-11 2012-02-09 14:10:59 by sch
[Gaussian] [已完结]老出同一个错误，请教是什么原因呢，谢谢 (1/480) 雾溪之魅 2012-02-09 2012-02-09 11:31:33 by sch
[Gaussian] [已完结]基组理解求助 (0/312) caozf 2012-02-08 2012-02-08 20:23:03 by caozf
[Gaussian] [已完结]请问Gaussian中的OUT文件中绝对热焓变怎么求？ (0/469) iamlongwei 2012-02-08 2012-02-08 16:20:07 by iamlongwei
[Gaussian] 做IRC跟踪时，出现 Logic error in SftOpn (0/385) sch 2012-02-08 2012-02-08 11:38:08 by sch
[Gaussian] [已完结]高斯计算有句警示不懂，求助！ (5/1211) 饭饭316 2012-02-06 2012-02-07 21:30:14 by 饭饭316
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