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[热点] 售SCI一区文章，我:8 O5 51O 54,科目齐全 2h7du0nuhk 2026-02-08 刚刚
[Gaussian] 【求助】GV打开chk文件有问题 (5/933) liuxianlv 2010-07-02 2012-01-01 13:46:08 by zhangdaishan
[Gaussian] [已完结]计算集群里什么命令查看所有计算机呢？？？ (5/996) beyondjun 2011-10-13 2012-01-01 13:27:24 by coolrainbow
[Gaussian] [已完结]cooks kinetic method (0/93) takeeasy123 2012-01-01 2012-01-01 12:50:10 by takeeasy123
[Gaussian] 这算东西还是linux好阿 (7/678) nyzhaoyin 2011-12-30 2012-01-01 04:51:47 by yongma2008
[Gaussian] [已完结]QST3过渡态计算报错2070，请大家帮忙分析    ( 1 2 ) (10/2918) ssy_4222 2011-12-20 2012-01-01 01:29:55 by ryxiao
[Gaussian] [已完结]电荷分布怎么算啊？ (2/3676) 追风de老头子 2011-12-31 2011-12-31 10:30:12 by 小白如水
[Gaussian] [已完结]PBC计算 (3/1719) Roseshu 2011-12-29 2011-12-30 22:38:34 by beefly
[Gaussian] [已完结]link701 怎么解决 (2/341) Lau_Yuen 2011-12-30 2011-12-30 20:40:19 by Lau_Yuen
[Gaussian] [已完结]高斯求助 (0/166) jwell 2011-12-30 2011-12-30 16:03:18 by jwell
[Gaussian] [已完结]thermochemistry数据 (6/750) ryxiao 2011-12-30 2011-12-30 13:08:44 by zhangmt
[Gaussian] [已完结]求助g03e01-em64t.tar.gz软件一个。 (4/846) lyc2007 2011-12-29 2011-12-29 19:54:30 by lyc2007
[Gaussian] [已完结]频率与结构能量最低点的关系 (5/1234) 可米kemi 2011-12-25 2011-12-29 16:18:51 by 可米kemi
[Gaussian] [已完结]带电体系优化请教 (3/1303) wyhzj1987 2011-12-27 2011-12-29 10:42:26 by wyhzj1987
[Gaussian] 【求助】计算分子电子结构及相关性质 (6/754) 果果徐 2010-12-13 2011-12-29 10:09:12 by chenjutao100
[Gaussian] [已完结]QST2找到的过渡态，做出的IRC却不指向反应物，请问该怎么调节 (4/1350) takeeasy123 2011-12-27 2011-12-29 09:39:12 by takeeasy123
[Gaussian] 【求助】高斯频率计算死掉的原因 (7/1592) ter20 2010-09-28 2011-12-29 09:37:25 by ter20
[Gaussian] [已完结]请问gjf文档中设置运算核数的命令是什么？ (5/813) bbc123321 2011-12-28 2011-12-29 09:23:53 by zhou2009
[Gaussian] [已完结]对于高斯运算。频率和核心数一样的情况下，6核心cpu好还是8核心的？还是都一样。 (4/1562) Illusionist 2011-12-08 2011-12-29 09:12:22 by 风间的记忆
[Gaussian] [已完结]激发态计算 (5/730) kingleaves 2011-12-22 2011-12-28 21:56:10 by tomhy
[Gaussian] [已完结][关贴]磁距怎么计算，拜求指教 (1/646) 伟明 2011-12-26 2011-12-28 15:38:56 by onlyhappy
[Gaussian] [已完结]请问在Gaussian计算中怎样考虑弱相互作用？    ( 1 2 3 ) (23/2848) helitrope 2011-11-04 2011-12-28 12:42:28 by zhangmt
[Gaussian] [已完结]过渡态    ( 1 2 ) (11/2078) 静水四叶草 2011-12-25 2011-12-28 12:00:25 by zhangmt
[Gaussian] BSSE for MP2 calculations (6/1200) xuefangyu09 2011-04-22 2011-12-28 10:08:28 by lion0528
[Gaussian] [已完结]K Zn 化合物能否用6-311+G（d,p）基组优化结构？ (1/397) 刘梦 2011-12-27 2011-12-28 09:42:27 by 雨晨田木
[Gaussian] [已完结]新手求问关于势能面柔性扫描的问题 (2/746) 爱克劳德殿 2011-12-25 2011-12-27 21:54:37 by 爱克劳德殿
[Gaussian] [已完结]三阶力常数 (0/1172) newton3915 2011-12-27 2011-12-27 21:03:21 by newton3915
[Gaussian] [已完结]两吥吩环面呈夹角的优化    ( 1 2 ) (11/1218) slay3 2011-12-23 2011-12-27 21:01:42 by oyljw
[Gaussian] [已完结]如何用GaussView搭建分子间氢键模型 (1/1970) tnfcqsl 2011-12-26 2011-12-27 20:51:08 by zhou2009
[Gaussian] [已完结]TZV(2d,2p)基组大小 (2/532) baoyuan6969 2011-12-22 2011-12-27 20:40:14 by baoyuan6969
[Gaussian] 同一用户下 安装g03 g09 结果还是不行 混乱了 (8/1055) nyzhaoyin 2011-12-26 2011-12-27 18:37:54 by abdoman
[Gaussian] [已完结]td优化结构老是出现这些，一直不收敛·····求教大侠 (5/1389) Illusionist 2011-12-13 2011-12-27 16:29:18 by Illusionist
[Gaussian] [已完结]求问 坛子里下载的g03 E01版本现在可以运行了 但是。。。。 (3/499) nyzhaoyin 2011-12-26 2011-12-27 15:31:53 by aimonkey
[Gaussian] [已完结]这种图怎么做的 (2/546) 幽田双净 2011-12-19 2011-12-27 15:02:37 by sobereva
[Gaussian] [已完结]请教运用g03计算水相中化学反应焓的计算 (1/602) mjli 2011-12-27 2011-12-27 13:25:12 by mjli
[Gaussian] [已完结]求助吉大理化所的Gaussian软件 (5/1095) yanghm800327 2011-12-26 2011-12-27 10:25:08 by yqzhang6518
[Gaussian] [已完结]不知道这个现象正常吗 (1/238) nyzhaoyin 2011-12-27 2011-12-27 09:31:40 by abbott
[Gaussian] [已完结]双原子分子的anharmonic性质 (0/536) newton3915 2011-12-27 2011-12-27 09:27:51 by newton3915
[Gaussian] [已完结]求助关于DOS的问题 (8/966) 伟明 2011-11-23 2011-12-27 08:25:45 by 伟明
[Gaussian] [已完结]gaussian 09 做好输入文件后总是关联不上，总说找不到文件，请高手指点！    ( 1 2 ) (16/3300) luqin500 2011-12-21 2011-12-27 08:10:37 by zhang7311
[Gaussian] TD-DFT激发态优化不收敛 (4/2086) xiaozufeng 2011-12-25 2011-12-26 12:10:48 by beefly
[Gaussian] [已完结]Condensed to atoms (all electrons): (3/782) wyhzj1987 2011-12-23 2011-12-26 11:38:11 by wyhzj1987
[Gaussian] [已完结]H键计算键能 (0/626) phbgp 2011-12-22 2011-12-26 10:25:29 by phbgp
[Gaussian] [已完结]Gaussian 加电场遇到计算方法的困难 (0/522) liangshash 2011-12-26 2011-12-26 10:15:52 by liangshash
[Gaussian] [已完结]一个奇特的问题 求助一下 (2/349) nyzhaoyin 2011-12-24 2011-12-24 23:16:13 by beefly
[Gaussian] [已完结]求助 如何在Gaussian计算中对体系加外电场 (2/518) fengshiquan 2011-12-21 2011-12-24 22:31:30 by yumu0411
[Gaussian] [已完结]高斯求助 (5/623) ericlee99 2011-12-23 2011-12-23 15:46:18 by MVP41
[Gaussian] [已完结]Li Na K Zn 金属有机化合物能否用6-31G 基组？ (6/1636) 苏远亭 2011-12-23 2011-12-23 15:02:50 by jiewei
[Gaussian] [已完结]金属卟吩电荷数 和 单电子数 怎么判断 (1/910) slay3 2011-12-22 2011-12-23 09:09:05 by zhou2009
[Gaussian] [关贴]如何创建NaN3的高斯输入文件？？ (4/924) 学员jDhte6 2011-12-19 2011-12-22 23:05:21 by zwnjust
[Gaussian] [已完结]CP校正的必要性？ (8/1787) 亍寞 2011-05-27 2011-12-22 16:33:26 by baoyuan6969
[Gaussian] [已完结][关贴][急求]搜索过渡态时，基组选择对频率影响的问题 (5/1043) 慢三儿 2011-12-12 2011-12-22 15:44:57 by Jasminer
[Gaussian] [已完结]请教关于马库斯理论中的“转移积分”的计算问题~~~~~谢谢！！    ( 1 2 ) (10/1939) erinic 2011-09-01 2011-12-22 15:37:06 by 玉面小飞龙
[Gaussian] [已完结]在离子优化时，出现键的断裂 (6/993) wangxp-200806 2011-12-20 2011-12-22 12:16:33 by wolfzhong
[Gaussian] [已完结]有关bsse校正 (4/854) hlq3175 2011-12-21 2011-12-22 10:33:54 by lxying
[Gaussian] [已完结]求助gauss view软件 (1/538) Jeremiad 2011-12-19 2011-12-22 00:01:33 by lyc2007
[Gaussian] [已完结]从ccdc那里所要的txt文件怎样转化为高斯计算用的gjf文件 (1/593) sunzhiguo 2011-12-21 2011-12-21 18:55:10 by jiewei
[Gaussian] 询问：gaussview中DFT/CAM-B3LYP基组设定fitting set该如何选? (3/1919) dxyan 2011-12-19 2011-12-21 15:21:26 by lihb734
[Gaussian] [已完结]询问：gaussview中DFT/CAM-B3LYP基组设定问题 (1/1071) dxyan 2011-12-21 2011-12-21 15:19:38 by lihb734
[Gaussian] [已完结]氢键计算 (3/561) phbgp 2011-12-15 2011-12-21 15:12:04 by yzwyxnb
[Gaussian] 需要数理基础的一道普林化学博士口试题 (5/756) xiaojun2010 2011-11-26 2011-12-21 13:29:46 by 白鹿儿
[Gaussian] [已完结][关贴]求苯的分子轨道能级（molecular orbital binding energies for benzene） (8/1740) zhouman2012 2011-12-17 2011-12-21 10:01:24 by zhouman2012
[Gaussian] IRC得出来的能量图起点和终点一定是反应物和产物么？ (5/1531) colinmacrean 2011-12-20 2011-12-21 07:27:59 by 书万里
[Gaussian] [已完结]OH radical frequency(OH基的振动频率) (0/335) Miracle922 2011-12-20 2011-12-20 22:44:07 by Miracle922
[Gaussian] [已完结]找过渡态几个大概有几类方法 (7/1277) ryxiao 2011-12-18 2011-12-20 21:53:25 by ryxiao
[Gaussian] [已完结]在linux系统下 打不开chk文件 (6/2561) beipiao616 2011-12-19 2011-12-20 19:38:23 by iconsdkxq7
[Gaussian] [已完结]氢键 (4/934) phbgp 2011-11-08 2011-12-20 15:53:59 by phbgp
[Gaussian] 【讨论】大家觉得M052X、M062X怎么样？ (5/2284) 奔鲨 2011-03-19 2011-12-20 11:20:20 by gujing136
[Gaussian] [已完结]请教有机盐类计算问题 (0/351) shishi722 2011-12-20 2011-12-20 10:49:55 by shishi722
[Gaussian] [已完结]最高占据轨道和最低占据轨道的能隙怎么算 (1/2258) 幽田双净 2011-12-19 2011-12-19 23:55:47 by 中科院苦行僧
[Gaussian] [已完结]gaussian能否进行动力学分析 (0/477) ldzh0531 2011-12-19 2011-12-19 21:10:05 by ldzh0531
[Gaussian] [已完结]求助氢键计算 (3/1386) 李东奇 2011-12-18 2011-12-19 20:38:02 by haiyingli
[Gaussian] [已完结]征人计算反应速率 (0/193) zhangzf01 2011-12-19 2011-12-19 18:59:40 by zhangzf01
[Gaussian] [已完结]硬度 (0/195) fangjiang 2011-12-19 2011-12-19 11:17:27 by fangjiang
[Gaussian] [已完结]关于scan和TS的计算量 (0/544) luojin7653 2011-12-19 2011-12-19 11:02:15 by luojin7653
[Gaussian] [已完结]麻烦各位大侠帮我看看这个是什么问题造成的，小弟不胜感激 (4/1801) gujing136 2011-12-13 2011-12-18 21:00:58 by 409123976abc
[Gaussian] [已完结]请求高手的帮助！谢谢！ (1/214) wangchenju 2011-12-15 2011-12-18 20:59:57 by scottfreedom
[Gaussian] [已完结]同一个催化可逆反应，高斯计算反应速率常数，可否判断不同催化剂活性大小 (2/1265) liujodan 2011-12-06 2011-12-18 20:55:18 by meteoric30
[Gaussian] [已完结]gaussian计算完后有一个虚频 (2/614) luojin7653 2011-12-17 2011-12-18 14:55:48 by 冬天里的骄阳
[Gaussian] [已完结]寻找过渡态一直出错，焦头烂额中    ( 1 2 ) (13/1940) janetin 2011-11-03 2011-12-18 12:18:27 by zyj2005010
[Gaussian] [已完结]CS2 计算freq时出现l510的错误，请高手指点 (1/503) 1035785633 2011-12-16 2011-12-17 20:37:39 by phys
[Gaussian] [已完结]求助激发态频率计算问题 (4/1025) hxq2592843 2011-12-16 2011-12-17 16:11:23 by mchen10
[Gaussian] [已完结]求教图片中字母的意义 (1/320) tccc123 2011-12-17 2011-12-17 15:00:46 by lihb734
[Gaussian] [已完结]求 guassian 98 软体 (6/809) lyc2007 2011-12-14 2011-12-16 00:35:20 by lyc2007
[Gaussian] 谁有各原子轨道半径数据+如何确定某元素的自旋多重度？ (3/1385) littledwarf 2011-12-14 2011-12-15 20:29:58 by hongzhiabc
[Gaussian] [已完结]IRC出现"A mimimum has been detected on the LST pathway"错误 (0/487) jianqin 2011-12-15 2011-12-15 20:10:41 by jianqin
[Gaussian] [已完结]高斯03计算发射光谱，最大发射波长怎么确定？ (2/680) lvjinru 2011-12-15 2011-12-15 18:33:15 by lvjinru
[Gaussian] [已完结]收敛的四个判据 (2/608) ldzh0531 2011-12-09 2011-12-15 18:02:50 by ldzh0531
[Gaussian] [已完结][关贴]【求助】高斯计算负一价阴离子自由基时，电荷还是自旋密度说明自由基反应更好一些。 (0/837) loovfnd 2011-12-15 2011-12-15 14:24:03 by loovfnd
[Gaussian] [已完结]【求助】高斯计算电荷时，什么方法计算的更准确些呢？有什么界定方法吗？ (2/603) loovfnd 2011-12-14 2011-12-15 14:21:33 by loovfnd
[Gaussian] [已完结]go3w 计算中的暂停功能 (1/413) luojin7653 2011-12-15 2011-12-15 12:49:24 by gmy1990
[Gaussian] [已完结]关于gaussian09中EOM CCSD方法做激发态优化的问题 (1/1807) xmdxn 2011-12-15 2011-12-15 12:42:45 by gmy1990
[Gaussian] [已完结]请教各位大侠，高斯技术部的回复。控制电子排布轨道的具体操作如何执行？ (4/1273) gujing136 2011-12-10 2011-12-14 16:52:03 by zhangmt
[Gaussian] [已完结]大侠们，请教一下，高斯能否设定初始电子排布……谢谢 (4/589) gujing136 2011-12-09 2011-12-14 16:45:06 by zhangmt
[Gaussian] 两本高斯经典书籍 (6/3010) 熊猫宝贝 2011-11-01 2011-12-14 13:21:27 by zljytu2011
[Gaussian] 我真郁闷了 (7/602) dreamyeye 2011-12-13 2011-12-14 10:01:57 by 静水四叶草
[Gaussian] [已完结]怎么算第一单重激发态的HOMO 和LUMO ? (0/606) huangshp 2011-12-14 2011-12-14 01:56:10 by huangshp
[Gaussian] [已完结]homo和lumo批量提取的脚本    ( 1 2 3 ) (24/2819) 秋雨子 2011-12-05 2011-12-13 23:43:07 by 秋雨子
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