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[热点] 280求调剂 Qq206./ 2026-02-26 刚刚
[Gaussian] [已完结]50金币求一个+1价Au配合物的构型优化输入文件 (5/645) 阿克飞顿 2015-09-24 2015-09-25 08:12:43 by 枪下游魂
[Gaussian] [已完结][关贴]固定分子中部分坐标优化 (3/588) 875418128 2015-09-23 2015-09-25 07:55:23 by 枪下游魂
[Gaussian] [已完结]阴离子 GAUSSIAN 计算电荷设置，如硫酸根，是-2 还是2- ----------急急急 (8/2176) lgc020305 2013-03-16 2015-09-24 19:07:12 by 阿克飞顿
[Gaussian] [已完结]请高斯大牛帮看看这个输入文件有无问题 (5/962) helei06 2015-03-09 2015-09-24 13:49:17 by 折射蓝天
[Gaussian] [已完结]求助含过渡金属原子的计算 (8/1110) lxss 2015-07-25 2015-09-24 10:27:42 by lxss
[Gaussian] [已完结]配合物结构优化    ( 1 2 ) (16/1756) xtulidan 2015-07-08 2015-09-24 07:48:45 by 阿克飞顿
[Gaussian] 桥联过度金属配合物的优化，心碎了一地。    ( 1 2 ) (12/1233) 布尔型数据 2014-03-03 2015-09-23 20:12:43 by 阿克飞顿
[Gaussian] [已完结]关于gaussian输出的简正坐标单位 (0/600) xixi1007 2015-09-23 2015-09-23 17:21:32 by xixi1007
[Gaussian] [已完结][关贴]电荷和自选多重度 (0/845) younggood 2015-09-23 2015-09-23 15:51:00 by younggood
[Gaussian] [已完结]计算ECD出错,求高手指点!    ( 1 2 ) (13/2048) HPLC2008 2015-09-14 2015-09-23 15:34:54 by HPLC2008
[Gaussian] gaussian计算中出现错误，不知道该怎么办？ (5/1537) lyhj5287 2015-09-21 2015-09-23 14:37:23 by 枪下游魂
[Gaussian] [已完结][关贴]关于过渡金属配合物 激发态 (2/661) 303103263 2015-09-22 2015-09-23 09:12:19 by 303103263
[Gaussian] [已完结]求助帮忙优化配位物结构，方便计算，谢谢谢！！！！ (1/404) Tiffany文伶 2015-09-22 2015-09-22 17:31:10 by qchem
[Gaussian] [已完结]重金属配合物的量化计算方法实现交流 (0/506) jin9090900 2015-09-22 2015-09-22 10:33:55 by jin9090900
[Gaussian] 找过渡态，找出的过渡态能量在反应物和产物之间是什么鬼？ (22/1673) fogmoon 2015-08-10 2015-09-22 08:53:31 by yolanda1234
[Gaussian] [已完结]如何计算偶极矩和衰减速率 (2/626) 寂寞小太阳 2015-09-17 2015-09-21 12:57:28 by ZJboy
[Gaussian] [已完结]gaussview构图 (7/995) 小妹妹南京 2015-09-18 2015-09-20 15:46:44 by 小妹妹南京
[Gaussian] 这样算的高斯 准不准确    ( 1 2 ) (16/2074) yhaih52 2012-09-01 2015-09-20 12:35:30 by gjc2013145
[Gaussian] [已完结]不懂计算，不知道我的分子中的C-H键能好不好算？ (0/433) 有机fly2010 2015-09-19 2015-09-19 22:27:09 by 有机fly2010
[Gaussian] [已完结]怎么得到反应物的能量 (8/1384) zhoulm338 2012-08-06 2015-09-19 13:20:24 by 琼雪百合
[Gaussian] [已完结]用Polyrate如何计算////液相////中的速率常数？？？大神帮帮忙吧！！！ (2/427) luyang_982 2015-09-16 2015-09-19 12:01:26 by luyang_982
[Gaussian] [已完结][关贴]nbo算NATURAL BOND ORBITAL ANALYSIS出错 (0/501) crystalzjy 2015-09-19 2015-09-19 07:24:57 by crystalzjy
[Gaussian] 【求助】Linux 系统内g09运行命令怎么写？ (5/4331) zhongcm 2011-01-03 2015-09-18 13:18:42 by renhuijunt
[Gaussian] [已完结]审稿意见看不懂，求助！ (3/694) cug_zhang 2015-09-15 2015-09-18 10:28:19 by cug_zhang
[Gaussian] 一个很简单的计算，gaussian优化所得轨道系数与gamess不一致，请问原因如何 (9/1868) chenxin1992 2015-09-08 2015-09-17 17:14:18 by chenxin1992
[Gaussian] DFT计算中的氢键和质子迁移问题 (3/1496) shaonan 2015-09-17 2015-09-17 16:29:39 by zhou2009
[Gaussian] [已完结]关于多分子反应自由能高估的问题 (1/338) haixia689 2012-03-22 2015-09-17 10:12:05 by zhangxiting
[Gaussian] 如何用Gaussian计算两原子超精细能级的势能曲线呢？ (0/327) sanjinsingle 2015-09-17 2015-09-17 10:05:21 by sanjinsingle
[Gaussian] [已完结][关贴]谁能帮我扫描验证下这三个结构？？困扰很久了 (7/1349) xzh410512206 2015-09-12 2015-09-17 08:39:57 by lastzealot
[Gaussian] [已完结]gaussian的.log文件中的数据导入excel，求助 (5/1203) njau水巷 2015-09-14 2015-09-16 08:59:13 by minisun
[Gaussian] [已完结]不同轨道的跃迁极距 (3/844) xiaozhengguo 2015-09-15 2015-09-15 21:56:55 by 小范范1989
[Gaussian] [已完结]频率分析算了20天了    ( 1 2 ) (13/2485) crystalzjy 2013-10-08 2015-09-15 18:27:37 by hairan
[Gaussian] [已完结]第一次发帖，小女求助大神大牛们三个问题 (7/1179) Abstrackt11 2015-09-10 2015-09-15 09:46:58 by Abstrackt11
[Gaussian] 【求助】gaussian频率计算问题 (9/2288) shuo2008 2010-08-12 2015-09-15 07:03:47 by 木易金豆
[Gaussian] 用高斯如何计算两个分子之间的作用力 (2/980) 贾半兽人 2015-09-13 2015-09-14 21:58:42 by wbfeng721
[Gaussian] [已完结]qst2过渡态计算L101错误怎么改正？    ( 1 2 ) (12/4294) hongsemenghuan 2015-09-14 2015-09-14 13:57:37 by hongsemenghuan
[Gaussian] [已完结]gaussview与guassian关联设置 (3/1819) mpcctv 2015-09-12 2015-09-14 10:42:15 by xieruobing
[Gaussian] [已完结]哪位大神能帮我解释一下图中的高低占用轨道！！？ (2/668) yuenanshuyao 2015-09-13 2015-09-14 09:00:40 by yuenanshuyao
[Gaussian] 【求助】高斯计算中如何冻结一部分原子 (8/3659) dragon5061 2010-06-23 2015-09-13 11:38:09 by 875418128
[Gaussian] [已完结]用Gaussian求分子间作用力    ( 1 2 ) (13/3430) ww5945 2014-01-13 2015-09-13 07:41:17 by 贾半兽人
[Gaussian] [已完结]Gaussveiw 运行出错 (3/542) mpcctv 2015-09-12 2015-09-13 07:20:20 by qchem
[Gaussian] [已完结]请问下，HOMO-LUMO能量差是什么单位？如何换算成eV? (8/2902) xwnail2003 2015-09-09 2015-09-12 09:27:41 by 王虎@@youji
[Gaussian] [已完结]求助：对称有机大分子体系 如何同时扫描4个势能面？？？    ( 1 2 ) (19/1783) xzh410512206 2015-07-15 2015-09-12 09:16:11 by virtualzx
[Gaussian] [已完结]Gaussian09 D01 “Internal consistency failure #1 in GetIJB”怎么解决？ (1/2969) 学员f8qsBw 2015-08-14 2015-09-12 02:01:53 by emc2
[Gaussian] [已完结]请问高斯软件是免费的吗？可以随便使用来发文章吗？ (1/3960) bbsang 2015-09-11 2015-09-12 00:05:32 by linkblossom
[Gaussian] [已完结]电离能和亲和能的缩写表示 (4/1056) kent1022 2015-09-10 2015-09-11 16:20:58 by lxying
[Gaussian] [已完结]高斯09中有默认的ROCBS-QB3方法可以算过渡态吗？ (0/924) 贺非非 2015-09-11 2015-09-11 08:21:29 by 贺非非
[Gaussian] [已完结]gaussianview在哪个版本的linux下运行比较稳定？ (3/907) xiayu1985 2015-09-10 2015-09-11 07:04:58 by qchem
[Gaussian] [已完结]polyrate速率常数计算出现错误，请高手解答！！！ (4/843) luyang_982 2015-09-01 2015-09-10 16:33:52 by luyang_982
[Gaussian] [已完结][关贴]想用高斯计算得到分子的自旋密度图，要使用哪些关键词进行计算？ (0/431) 蠢蠢欲动 2015-09-10 2015-09-10 16:30:51 by 蠢蠢欲动
[Gaussian] 高斯计算团簇极化率 (7/1820) zyr3365754 2012-10-09 2015-09-10 13:00:54 by wabl
[Gaussian] [已完结]取代基的引入对共轭聚合物HOMO,LUMO能级的影响 (1/1554) mengsk 2014-10-16 2015-09-10 11:21:15 by damihu2011
[Gaussian] [已完结]计算Guess(fragment=N)出错：This type of calculation cannot be archived. (1/2282) kayalu 2015-08-06 2015-09-10 10:19:53 by 阿克飞顿
[Gaussian] [已完结]求各位大神怎么算分子中各个原子相对应的最高前线轨道能量与最低前线轨道能量？？ (2/738) Jesly521 2015-09-09 2015-09-10 01:46:26 by neweroica
[Gaussian] [已完结]电子亲和势和电离势的计算公式问题？ (1/2308) iamlongwei 2015-09-09 2015-09-09 15:59:36 by 小范范1989
[Gaussian] [已完结]求32位windows 7系统下运行的Gaussian 09软件 (1/530) jasminelw 2015-09-07 2015-09-07 21:48:21 by weixuesong
[Gaussian] [已完结][关贴]gaussian09 在linux下运行失败 (1/685) 新手少校 2015-09-06 2015-09-06 13:30:02 by 新手少校
[Gaussian] [已完结]求助Gaussian09中的溶剂模型问题 (0/406) chong89 2015-09-06 2015-09-06 11:42:21 by chong89
[Gaussian] [已完结][关贴]linux下获得.wfn或.wfx文件的方法 (0/578) lastzealot 2015-09-05 2015-09-05 18:30:03 by lastzealot
[Gaussian] [已完结][关贴]高斯Serious error in surface integrals错误，输入文件该怎么改？ (0/644) 253513140 2015-09-05 2015-09-05 15:13:29 by 253513140
[Gaussian] [已完结]关于计算得出的WBI键级结果的疑问 (6/2523) cug_zhang 2014-04-20 2015-09-05 06:32:40 by 十年磨练
[Gaussian] [已完结]Gaussian算气体吸附的binding energy的问题，以及dummy atom的用法，跪谢！ (2/1085) McDolll 2015-09-04 2015-09-05 02:42:57 by McDolll
[Gaussian] [已完结]重谢~高斯基组的修正因子 (3/1496) Z2012011113 2015-08-20 2015-09-03 12:25:21 by jimsmart
[Gaussian] [已完结]gaussian荧光光谱如何作图 (8/2072) ly1171193313 2015-09-02 2015-09-03 10:27:36 by 枪下游魂
[Gaussian] [已完结]Gaussian09 setup.exe程序为什么没反应？？？ (3/2072) tingxxf 2015-09-02 2015-09-03 07:41:36 by dukaidd
[Gaussian] [已完结]如何计算分子间的弱相互作用以及分析氢键    ( 1 2 ) (13/3899) 十年磨练 2015-06-22 2015-09-02 17:12:55 by 十年磨练
[Gaussian] [已完结]如何读取CHK文件，继续计算 (4/5347) 赵文华110 2014-03-13 2015-09-02 09:24:42 by 忧凝听雨轩
[Gaussian] [已完结]求助Gaussian09电子密度问题 (2/539) chong89 2015-09-01 2015-09-01 15:17:44 by chong89
[Gaussian] [已完结]氢钝化的名词解释 (0/1212) 十年磨练 2015-09-01 2015-09-01 11:16:04 by 十年磨练
[Gaussian] [已完结]Gamess与Gaussian软件输出文件轨道不一致的问题 (3/921) chenxin1992 2015-08-29 2015-08-31 20:08:24 by chenxin1992
[Gaussian] [已完结]激发态计算出错 (2/592) jiangxia0909 2015-08-28 2015-08-31 15:55:28 by jiangxia0909
[Gaussian] [已完结]计算S0-T3 (2/674) ultra小雨 2015-08-30 2015-08-31 14:12:29 by ultra小雨
[Gaussian] [已完结]高斯03溶剂模型输入出错 (5/1258) 13703596941 2015-08-27 2015-08-31 14:09:23 by mscic
[Gaussian] [已完结]对氢氧游离基进行结构优化，有些问题请大家帮帮忙！ (2/390) Daisy-smile 2015-08-24 2015-08-31 09:55:30 by Daisy-smile
[Gaussian] [已完结]用高斯计算电极电势 (0/1062) 122ybb 2015-08-31 2015-08-31 09:28:34 by 122ybb
[Gaussian] [已完结]请大神帮忙看看审稿意见 (0/303) hunter_chen 2015-08-30 2015-08-30 14:21:05 by hunter_chen
[Gaussian] [关贴]关于高斯优化exciplex的咨询，谢谢指点 (3/634) 小范范1989 2015-08-30 2015-08-30 11:55:14 by 阿Q~~
[Gaussian] [已完结]为何三线态氧分子(Triplet-O2)势能面扫描PES曲线存在断点？    ( 1 2 ) (11/2085) xiao_qft 2015-07-31 2015-08-29 12:15:15 by chenxin1992
[Gaussian] [已完结]求助Gaussian运行错误 2070 (6/4799) zkyu123456 2015-08-22 2015-08-29 07:32:03 by chinapuzhen
[Gaussian] [已完结]理论化学计算注重哪方面能力？ (3/804) xiayu1985 2015-08-28 2015-08-29 00:01:57 by youyno
[Gaussian] [已完结]求助--CH3Br+OH(-)反应的过渡态 (1/398) Phil宏爷 2015-08-09 2015-08-28 23:29:33 by chenxin1992
[Gaussian] 关于内坐标出错    ( 1 2 ) (13/1938) 计算化学新人 2015-08-15 2015-08-28 22:28:26 by chenxin1992
[Gaussian] [已完结]乙烯的电离能比乙烷的电离能小该怎么分析 (3/1251) 253513140 2015-08-21 2015-08-28 22:27:30 by chenxin1992
[Gaussian] [已完结]求教自旋多重度该怎么设置啊，求大神帮忙 (7/1153) 登山临水 2015-08-26 2015-08-28 19:49:04 by 980452859
[Gaussian] [已完结]用gaussview的redundant功能固定分子角度，优化后总是出现l101.exe错误 (1/874) 红叶cq 2015-08-27 2015-08-28 08:46:31 by 枪下游魂
[Gaussian] [已完结]高斯09 G09使用两颗CPU计算设置问题    ( 1 2 ) (12/2188) jinquwl 2012-11-10 2015-08-28 06:56:01 by jjww0001
[Gaussian] [已完结]求助：高斯意外中断 (3/839) 刷墙花激凌 2015-08-26 2015-08-27 17:46:09 by 刷墙花激凌
[Gaussian] [已完结]gamma可以用什么公式进行拟合分析呢？ (0/333) 我本是个娃娃 2015-08-26 2015-08-26 19:29:10 by 我本是个娃娃
[Gaussian] [已完结]BSSE校正 (1/467) 李晓绒 2014-01-17 2015-08-25 12:06:48 by 琼雪百合
[Gaussian] [已完结]初学gaussian，请教一下，混合溶剂怎么设置？    ( 1 2 ) (11/2908) 登山临水 2015-08-20 2015-08-23 09:01:56 by 登山临水
[Gaussian] [已完结]过渡态问题 (5/965) 王蒙2468 2015-08-13 2015-08-21 15:19:45 by yangys108
[Gaussian] [已完结]关于酒石酸的opt的问题 (9/926) yeliya201 2015-08-17 2015-08-21 11:02:52 by 奔鲨
[Gaussian] [已完结][关贴]求救: 关于稳定构象与激发态能隙差的问题！！！    ( 1 2 3 ) (21/2343) xzh410512206 2015-08-18 2015-08-21 03:20:28 by virtualzx
[Gaussian] [已完结]结构优化出现L106的错误    ( 1 2 3 ) (21/1495) ddwy 2014-07-26 2015-08-20 10:06:33 by zszjn
[Gaussian] [已完结]对高斯中没有的溶剂进行计算总是l301.exe错误怎么办？ (8/1422) hongsemenghuan 2015-08-18 2015-08-19 09:39:28 by 枪下游魂
[Gaussian] [已完结]计算溶液体系的吉布斯自由能或溶剂化能 (4/1259) Z2012011113 2015-08-17 2015-08-18 08:48:07 by caspt2
[Gaussian] [已完结]配位化学中的“硬亲硬，软亲软”如何从量子化学角度理解？ (8/1760) lastzealot 2015-08-15 2015-08-17 09:48:31 by lastzealot
[Gaussian] [已完结]计算电子亲和势能问题，急急急急，求大哥大姐前辈们进来指导！~~(>_<)~~ (1/754) Z2012011113 2015-08-15 2015-08-15 20:44:03 by 小范范1989
[Gaussian] [已完结]Gaussian计算Radii如何输入 (0/296) Anrich 2015-08-14 2015-08-14 16:49:55 by Anrich
[Gaussian] [已完结]求助各位大侠 有关relaxed scan (1/755) paramecium86 2015-08-14 2015-08-14 12:11:44 by 枪下游魂
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