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[热点] 退学或坚持读 难忘2018 2026-02-05 刚刚
[Gaussian] [已完结]羧酸负离子酸化过程的过渡态 (1/446) fogmoon 2015-08-10 2015-08-13 20:32:51 by flour_wheat
[Gaussian] [已完结]chk文件与输出文件的的分子构型为什么不一样 (0/483) ddding123 2015-08-13 2015-08-13 19:04:05 by ddding123
[Gaussian] [已完结]Error: segmentation violation (5/4502) FoggyEM 2014-04-20 2015-08-13 17:36:54 by 迟小二儿
[Gaussian] [已完结]各位，谁的计算机或者服务器相对空闲，帮我算下不？ (4/585) xwnail2003 2015-08-08 2015-08-13 02:43:42 by smutao
[Gaussian] [已完结]电子跃迁中轨道跃迁所占的比例？ (1/672) xwnail2003 2015-08-12 2015-08-12 20:56:37 by WanderingHeart
[Gaussian] [已完结]求助Windows高斯03，论坛里的下的我都安装不了。应助者后续可奖200金币！ (2/409) luckycao 2015-08-12 2015-08-12 20:32:03 by luckycao
[Gaussian] [已完结]高斯123错误 (7/2068) lei234 2012-09-03 2015-08-12 06:28:20 by 1186917957
[Gaussian] [已完结]计算化合物的ORD值，出现如下错误，求高人指教，不胜感激    ( 1 2 ) (10/1499) wangkaibo123 2015-08-10 2015-08-11 20:16:13 by czyzsu
[Gaussian] [已完结]过渡态优化出问题，求大神们指点 (7/888) 点厾枫香 2015-07-15 2015-08-10 19:13:18 by 扬伯琛
[Gaussian] 关于羧酸和羧酸负离子之间的过渡态寻找问题 (11/717) fogmoon 2015-08-08 2015-08-09 20:09:24 by fogmoon
[Gaussian] [已完结]谁能帮我用高性能的计算机算下ECD？ (7/687) xwnail2003 2015-08-04 2015-08-09 09:05:15 by chzhbin
[Gaussian] windows版的Gaussview的chk文件默认自带full path的问题 (9/612) fogmoon 2015-08-04 2015-08-08 19:35:55 by fogmoon
[Gaussian] 求大家推荐审稿较快，影响因子不太高的杂志？ (9/1456) 孙1986 2015-08-06 2015-08-08 07:46:00 by yongma2008
[Gaussian] [已完结]高斯计算光谱HOMO问题 (7/1517) 神龍 2013-05-28 2015-08-07 12:39:44 by 1043114259
[Gaussian] [已完结][关贴]求各位帮我看一下，高斯的输出文件，怎样换算为生成焓 (0/751) 133lele 2015-08-07 2015-08-07 11:18:37 by 133lele
[Gaussian] [已完结]谁能帮我用高性能的服务器算两个构象的ECD? (9/812) xwnail2003 2015-08-04 2015-08-06 18:35:31 by jimsmart
[Gaussian] [已完结]用高斯计算能量出现2070的问题 (1/657) 让你变成回忆 2015-08-05 2015-08-05 20:38:09 by czyzsu
[Gaussian] [已完结]为什么我的高斯一做PBC模型的时候就会被卡死？ (1/770) 半截烟洋洋 2014-08-27 2015-08-05 11:21:26 by 答案galois
[Gaussian] [已完结]过渡态寻找 (3/576) 扬伯琛 2015-08-02 2015-08-04 17:25:43 by 扬伯琛
[Gaussian] [已完结]请问这样带键长二面角标注的图是用什么做哒~灰常感谢 (5/762) birdljc 2015-08-03 2015-08-04 12:14:32 by birdljc
[Gaussian] [已完结][关贴]请问b97d和wb97xda是同一种方法么？ (0/612) 木头人1175 2015-08-03 2015-08-03 17:34:43 by 木头人1175
[Gaussian] [已完结][关贴]polyrate计算问题 (0/273) 1181255220 2015-08-03 2015-08-03 16:03:51 by 1181255220
[Gaussian] [已完结][关贴]请帮忙计算小分子三个异构体的HOMO,LUMO及其能级宽 (6/831) autumn79 2015-07-31 2015-08-03 14:42:23 by autumn79
[Gaussian] [已完结]求助，如何对基组叠加误差进行校正 (0/413) cug_zhang 2015-08-03 2015-08-03 10:44:52 by cug_zhang
[Gaussian] [已完结]固定键长优化问题 (7/3727) 119243775 2013-04-24 2015-08-03 08:31:32 by zszjn
[Gaussian] [已完结]求告知标准吉布斯能和标准焓变！！！跪谢~ (0/274) angelkissgod 2015-08-01 2015-08-01 19:12:46 by angelkissgod
[Gaussian] [已完结][关贴]irc Unrecoverable SCF failure (0/393) zxy964777869 2015-08-01 2015-08-01 12:43:19 by zxy964777869
[Gaussian] [已完结]用td方法做了个三态电子激发的模拟，结果出现了负值的光谱，求助！    ( 1 2 ) (10/1788) 哈哈宝 2014-09-02 2015-07-31 08:27:37 by 928823784
[Gaussian] [已完结][关贴]irc (7/922) younggood 2015-07-25 2015-07-30 16:42:59 by younggood
[Gaussian] [已完结]请问有关键级的问题 (9/1020) lastzealot 2015-07-28 2015-07-30 12:10:15 by lastzealot
[Gaussian] 寡闻了，碰到家搞死代理 (2/646) hakuna 2015-07-28 2015-07-30 01:20:45 by lgc020305
[Gaussian] [已完结]不懂审稿人的意思，大家帮我看下？ (8/1327) xwnail2003 2015-07-27 2015-07-29 13:28:11 by kong890109
[Gaussian] [已完结]IRC分析出现问题 (7/1185) kobe_liuxing 2015-07-23 2015-07-29 10:13:15 by xieruobing
[Gaussian] [已完结]怎么进行下一步的计算 (4/631) assassin1990 2015-07-28 2015-07-29 09:47:46 by assassin1990
[Gaussian] [已完结]ExtraBasis调用的路径问题 (0/303) kaoyanhit 2015-07-28 2015-07-28 17:39:58 by kaoyanhit
[Gaussian] 关于在同一个计算文件中读取不同chk文件中的不同参数 (0/375) Chouz 2015-07-28 2015-07-28 15:26:27 by Chouz
[Gaussian] [已完结]可以得到各个态的能级宽度或者能级寿命吗 (0/904) yeliya201 2015-07-28 2015-07-28 09:54:21 by yeliya201
[Gaussian] [已完结]CCSD(T)计算CP能量校正，L913错误（已设maxcycle=512）如何解决？ (7/3555) baiyang1200 2011-05-23 2015-07-26 13:23:51 by 莫衣紫9319
[Gaussian] 新人求问，怎么样改原子编号方便，做qst2时需要的 (4/1890) fogmoon 2015-07-05 2015-07-25 23:49:26 by fogmoon
[Gaussian] [已完结][关贴]找氢转移的过渡态 (4/565) younggood 2015-07-22 2015-07-25 16:11:14 by younggood
[Gaussian] [已完结]高斯输出文件中各结构参数的单位 (0/1026) 猫猫守卫者 2015-07-25 2015-07-25 11:11:48 by 猫猫守卫者
[Gaussian] 【求助】分子动力学直径如何定义 (6/2633) 学员23fyuf 2010-05-29 2015-07-24 20:39:06 by ZJboy
[Gaussian] [已完结]qst2构象过渡态优化，为什么优化后的过渡态能量比其中的产物构象能量低？ (0/263) 残海一梦 2015-07-23 2015-07-23 20:50:19 by 残海一梦
[Gaussian] [已完结]目标化合物始终合成不了    ( 1 2 ) (10/805) woshimayday 2015-07-22 2015-07-23 19:20:43 by kong890109
[Gaussian] [已完结]Gaussian09 能对单独的基团进行计算吗 (0/273) 1312758691 2015-07-23 2015-07-23 14:36:09 by 1312758691
[Gaussian] [已完结]高斯计算中用基组的选择 (4/2608) 小罗008 2014-05-19 2015-07-23 12:46:46 by 810345580
[Gaussian] [已完结]LUMO计算值与实验值相差较大怎么解决 (9/1962) zhugezilong 2012-09-22 2015-07-23 10:29:44 by Elena151
[Gaussian] [已完结]优化后计算单点能为什么收敛失败？ (9/2614) 点厾枫香 2015-06-30 2015-07-23 10:07:16 by 139564@chen
[Gaussian] 发射光谱的计算与分子轨道计算 (9/1103) ZJboy 2013-04-03 2015-07-21 19:54:00 by ZJboy
[Gaussian] [已完结]请问有什么方法判断金属离子与其配体是否形成化学键还是静电作用？ (0/390) haoguoyu 2015-07-21 2015-07-21 19:44:03 by haoguoyu
[Gaussian] [已完结]两个分子的gaussian优化以及TD计算 (6/1058) Otar1990 2015-07-20 2015-07-20 23:26:15 by Otar1990
[Gaussian] [已完结]请问计算得到的焓变、熵变和自由能变化同实验得到的有区别怎么办 (6/1058) lastzealot 2015-07-17 2015-07-20 19:16:49 by myelt
[Gaussian] [已完结]关于NaCl的解离 (0/606) 学员UKbkc5 2015-07-20 2015-07-20 15:09:28 by xijinyang
[Gaussian] [已完结]金属有机化合物高斯计算 (9/2188) chemred 2015-07-16 2015-07-19 18:51:10 by chemred
[Gaussian] [已完结]高斯利用CHelpG方法计算原子电荷 (1/2119) 我爱问路 2015-07-16 2015-07-18 22:10:38 by Jasminer
[Gaussian] [已完结]不同自旋多重度进行比较来确定基态时出现自旋污染 (7/1905) dkgmx 2015-07-16 2015-07-18 21:42:22 by Jasminer
[Gaussian] [已完结]请求帮忙计算一个分子的振动频率 (6/1353) 大家一起来 2014-06-24 2015-07-17 16:38:34 by 热望如鲸歌
[Gaussian] 高斯计算分子能量    ( 1 2 ) (12/3153) alpha_8023 2015-07-15 2015-07-17 15:55:32 by alpha_8023
[Gaussian] [已完结]如何计算一个反应在不同温度下的反应能垒??? (7/3277) 何飘同学 2013-11-18 2015-07-17 13:04:24 by 月下黎明
[Gaussian] [已完结]scf=nosymm与 单独的nosymm有区别吗？ (3/1967) 宛石js 2014-05-07 2015-07-17 06:44:39 by xiaowandouer
[Gaussian] [已完结]看轨道    ( 1 2 ) (12/1115) 陈攀211 2015-07-13 2015-07-17 00:13:36 by ZJboy
[Gaussian] 如何在高斯中使Se的APS为0？ (0/538) sour1993 2015-07-16 2015-07-16 15:08:26 by sour1993
[Gaussian] [已完结]激发态偶极矩 (1/508) mengsk 2015-07-16 2015-07-16 15:05:18 by 小范范1989
[Gaussian] [已完结]怎么使用ChemBioDraw画反应机理势能图？ (3/2749) jiayou_123 2015-07-14 2015-07-16 12:44:12 by jerkwin
[Gaussian] [已完结]质子转移反应一定有过渡态吗？？？ (0/408) haoguoyu 2015-07-16 2015-07-16 09:40:09 by haoguoyu
[Gaussian] [已完结]请问gaussian 09里面的SMD模型有考虑溶剂-溶质之间的氢键作用吗 (0/470) xixi1007 2015-07-15 2015-07-15 14:18:13 by xixi1007
[Gaussian] [已完结]求助能量问题 (0/342) ailav1986 2015-07-15 2015-07-15 09:28:12 by ailav1986
[Gaussian] [已完结]画结构的时候怎么把氢原子变成氘原子 (2/1499) 2111301009 2015-07-14 2015-07-15 07:41:55 by 枪下游魂
[Gaussian] [已完结]高温高压对反应能垒的影响怎么定量计算？ (4/958) chutiankuo 2015-07-13 2015-07-14 22:12:24 by chutiankuo
[Gaussian] [已完结]请问怎么修改Gaussian计算时的温度和压力？应该添加什么语句，请大神指点，谢谢！ (5/1971) chutiankuo 2015-07-13 2015-07-14 16:08:56 by 郁琅嬛
[Gaussian] [已完结]高斯计算的有关石墨烯反应机理的文章投哪个杂志比较好中 (4/855) dingniu2 2012-08-17 2015-07-14 14:07:19 by 阿克飞顿
[Gaussian] 【讨论】怎么用gaussian计算周期性的体系呢？ (3/2347) 贺仪 2011-03-07 2015-07-14 14:00:11 by 阿克飞顿
[Gaussian] [已完结]请问输出结果中这样显示该如何调整？ (5/662) chutiankuo 2015-07-13 2015-07-14 13:44:51 by chutiankuo
[Gaussian] [已完结][关贴]找一个互变异构反应过渡态结构 (6/1192) ct_kaoyan 2015-07-03 2015-07-13 20:35:54 by ct_kaoyan
[Gaussian] [已完结]高斯PCM模型计算电极电位 (2/558) 13703596941 2015-07-11 2015-07-13 09:55:35 by 13703596941
[Gaussian] [已完结]关于一篇文献，有一些问题求各位大侠解答 (3/653) 俊俊好可爱 2015-07-12 2015-07-13 07:45:45 by 枪下游魂
[Gaussian] [已完结]我想用高斯09 opt+Freq 优化CF3COOF+的结构 但怎么算都提示l502错误 (8/1260) 干掉小白兔 2015-07-07 2015-07-12 14:50:05 by 干掉小白兔
[Gaussian] [已完结]关于IRC后续计算问题 (2/759) 计算化学新人 2015-07-10 2015-07-12 08:15:16 by 计算化学新人
[Gaussian] [已完结]高金币求教高手用FCclasses计算FC因子    ( 1 2 ) (11/1769) zhangyujin 2013-11-07 2015-07-11 13:34:25 by 小斌斌D
[Gaussian] [已完结]关于中间体 (1/346) kobe_liuxing 2015-07-10 2015-07-11 10:55:36 by s花哥
[Gaussian] [已完结]TDDFT溶剂化问题    ( 1 2 ) (10/1560) 122ybb 2015-05-30 2015-07-10 20:38:54 by wangsihang
[Gaussian] [已完结]高斯09PCM模型中加锂离子 (0/473) 13703596941 2015-07-10 2015-07-10 14:37:13 by 13703596941
[Gaussian] [已完结]如何求reciprocal average distances? (3/487) tandz 2015-07-09 2015-07-10 13:13:05 by tandz
[Gaussian] [已完结]高斯 Scan 编写问题 (1/837) alohomora 2015-07-10 2015-07-10 10:08:00 by 枪下游魂
[Gaussian] [已完结]用高斯计算氧化还原电极电势问题    ( 1 2 ) (10/4199) 122ybb 2015-07-08 2015-07-10 09:45:25 by kong890109
[Gaussian] [已完结]帮忙计算一个配合物的结构优化 (0/283) xtulidan 2015-07-10 2015-07-10 09:22:27 by xtulidan
[Gaussian] [已完结]大侠们！！！如何用gaussian研究碳纳米管的弹性性能和热力学性能？ (4/849) 学员Nz6cNC 2015-07-06 2015-07-09 21:17:17 by oinkmasta
[Gaussian] [已完结]potential well定量描述 (8/964) ryxiao 2015-07-07 2015-07-09 21:15:32 by oinkmasta
[Gaussian] [已完结]如何优化水合氢离子构型并求出能量？在计算时maximum force 总是不收敛 (3/1222) chutiankuo 2015-07-08 2015-07-09 21:09:40 by oinkmasta
[Gaussian] 【求助】chk文件无法读取    ( 1 2 ) (11/2320) tiechong 2010-07-03 2015-07-09 20:53:20 by liu007chem
[Gaussian] 求助，判断激发态的类型 (2/855) ngqianrui 2015-07-08 2015-07-09 11:22:02 by ngqianrui
[Gaussian] TD-DFT计算 (7/2504) lishiyi0626 2015-07-07 2015-07-09 10:41:48 by lishiyi0626
[Gaussian] [已完结]gaussian09 出现错误信息2066 怎么处理 (1/3731) exoto 2015-07-08 2015-07-09 08:21:00 by 枪下游魂
[Gaussian] [已完结]计算TD和Polar总是死在l508 (1/635) fx_zyzz 2015-03-02 2015-07-09 06:24:30 by liqianjun
[Gaussian] [已完结]此诚危急存亡之秋也！！！ 求好心人帮助啊！！ (0/281) lzq617217616 2015-07-08 2015-07-08 13:35:23 by lzq617217616
[Gaussian] [已完结]gaussian的fchk文件打开出现的问题 (2/1016) njau水巷 2015-07-07 2015-07-08 09:45:58 by njau水巷
[Gaussian] 【转载】Gaussian入门技巧二（开壳层和闭壳层）    ( 1 2 ) (评阅+3) (12/4742) honey宝贝 2011-04-01 2015-07-07 19:26:55 by 王小肆1
[Gaussian] 【转载】Gaussian入门技巧一（自旋多重度） (评阅+3) (8/2863) honey宝贝 2011-04-01 2015-07-07 17:43:05 by 王小肆1
[Gaussian] [已完结]请问如何计算某一个结构的焓、自由能等参数 (4/885) lastzealot 2015-07-06 2015-07-07 04:56:06 by oinkmasta
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