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[热点] 2024 - Redox‐Active Ligands asymmsyn 2026-02-05 刚刚
[Gaussian] [已完结]gold carbene在高斯计算中的结构中， (4/770) 搞科研的小蕾 2015-11-25 2015-12-01 09:54:34 by 搞科研的小蕾
[Gaussian] [已完结][关贴]谁知道这个值是怎么计算得到的，用高斯可以计算吗，加什么关键词 (1/428) 刘雨辰1003 2015-11-29 2015-12-01 08:26:03 by 小范范1989
[Gaussian] [已完结]关于开壳层紫外吸收光谱和前线轨道能级的计算 (5/1487) lishiyi0626 2014-10-27 2015-12-01 08:21:08 by xiaowandouer
[Gaussian] [已完结][关贴]键角扫描过程中出现l999错误 (0/332) C41014007 2015-11-30 2015-11-30 18:36:49 by C41014007
[Gaussian] [已完结]TDDFT计算激发态求助 (9/1831) lyy880530 2011-11-17 2015-11-29 14:00:16 by xiaowandouer
[Gaussian] [已完结]现在gaussian的量子化学研究的层面如何？ (5/1055) 徐氏小浩 2015-11-24 2015-11-29 09:19:29 by oinkmasta
[Gaussian] [关贴]晶体原子取代能与优先占位 (0/306) 葬春1993 2015-11-27 2015-11-27 17:24:38 by 葬春1993
[Gaussian] 高斯 (1/386) 学员v7AVhJ 2015-11-26 2015-11-26 14:49:20 by zwn400
[Gaussian] [已完结]运行出错，求答案 (3/560) 吴隆琴 2015-11-25 2015-11-26 10:33:50 by daiyang
[Gaussian] [已完结]高斯红外光谱求助 (0/588) 计算化学新人 2015-11-25 2015-11-25 15:16:52 by 计算化学新人
[Gaussian] [已完结]qst3寻找过渡态时出现不需要的虚频 (8/2051) ldzh0531 2012-03-01 2015-11-25 06:32:28 by Jessie46
[Gaussian] [已完结]gauss09安装求助！！ (3/1151) 我是我很简单 2015-11-23 2015-11-24 23:37:29 by 袁文凯GRRM
[Gaussian] [已完结]量子密码通信，信道中的纠缠态攻击 (3/651) 哲恬绘心 2015-11-23 2015-11-24 23:30:35 by 哲恬绘心
[Gaussian] [已完结]IRC总是只有五六步 (6/1667) Jessie46 2015-11-16 2015-11-24 14:59:43 by Jessie46
[Gaussian] [已完结]高斯Scan问题求助 (2/1247) dy19930508 2015-11-21 2015-11-24 10:08:19 by dy19930508
[Gaussian] [已完结]GUASSIAN中遇到的一点语法问题。 (1/439) a344902006 2015-11-23 2015-11-24 06:57:03 by 枪下游魂
[Gaussian] [已完结][关贴]IRC和系间交叉之间是否有关联？ (4/548) hongsemenghuan 2015-11-19 2015-11-23 23:21:46 by density
[Gaussian] [已完结]gaussian计算溶液总是很快出错 (7/1964) susanjj55 2015-11-19 2015-11-23 22:31:40 by susanjj55
[Gaussian] 【求助】关于激发态优化及发射光谱的计算 (36/7127) ar02hi3v 2011-03-31 2015-11-23 17:02:32 by 沧海小海
[Gaussian] [已完结][关贴]求一个win64位下的 G09W 64bit (8/3968) mapinyi1989 2015-11-20 2015-11-23 15:56:16 by 依风而逝
[Gaussian] [已完结]在gaussian计算中，先用小基组计算，在改成大基组计算出现的问题    ( 1 2 3 ) (23/2971) 萱月琪琪 2013-03-31 2015-11-23 14:45:09 by guopu
[Gaussian] [已完结]IRC问题求助 (3/750) dy19930508 2015-11-19 2015-11-23 13:31:58 by dy19930508
[Gaussian] [已完结]高斯过渡态算例，二氯甲醇+OH* 的探讨（QST2） (3/960) whqs8426212 2015-11-22 2015-11-23 11:24:01 by ztl19780124
[Gaussian] 【求助】怎样用Gview看HOMO，LUMO轨道 (20/5786) 快乐至上7868 2010-12-17 2015-11-21 15:32:41 by 徐氏小浩
[Gaussian] [已完结]DMF溶剂中单点能计算出错，如何解决？ (0/727) rain27 2015-11-21 2015-11-21 14:25:02 by rain27
[Gaussian] [已完结]输入文件问题，多谢解疑 (3/492) 雾溪之魅 2015-11-21 2015-11-21 07:07:10 by Woodeninsect
[Gaussian] [已完结]求计算命令 (4/662) 懒猫上树 2015-11-18 2015-11-20 22:07:01 by 懒猫上树
[Gaussian] [已完结]固定优化时出现 Error termination in NtrErr: NtrErr Called from FileIO.错误    ( 1 2 ) (13/4080) createdream 2015-11-16 2015-11-19 19:52:17 by createdream
[Gaussian] [已完结]平面分子的芳香性的输入文件 (5/950) 13703596941 2015-11-18 2015-11-19 19:47:17 by clcy
[Gaussian] [已完结]想计算一些小分子的电子激发态光谱常数和势能曲线， (5/1742) 孙1986 2014-06-27 2015-11-19 17:44:18 by damihu2011
[Gaussian] [已完结]求助镧系金属优化的基组选择 (0/757) lishiyi0626 2015-11-19 2015-11-19 17:15:23 by lishiyi0626
[Gaussian] 关于高斯计算的问题求教 (3/808) 111222000 2012-07-01 2015-11-19 16:00:59 by 庄之蝶ch
[Gaussian] [已完结]gaussian激发态计算出错，求帮助 (4/956) cug_zhang 2015-11-18 2015-11-19 09:04:56 by cug_zhang
[Gaussian] [已完结]求助计算一个分子Raman PED。1000金币悬赏 (1/360) sourmoon 2015-11-18 2015-11-18 21:21:23 by 小范范1989
[Gaussian] [已完结]结构优化报错 (5/623) daisyluna 2015-11-16 2015-11-18 20:22:19 by 枪下游魂
[Gaussian] 求助钽-氢的键能数据，阳离子，阴离子都可以。。！！急急急 (0/299) 小米7777 2015-11-18 2015-11-18 18:57:07 by 小米7777
[Gaussian] 关于IRC结果的求助 (41/2222) 计算化学新人 2015-10-20 2015-11-18 16:33:39 by 计算化学新人
[Gaussian] [已完结]用GaussView5.0.8打开fchk文件的问题 (0/930) 五分音 2015-11-18 2015-11-18 15:57:44 by 五分音
[Gaussian] [已完结]高斯软件文件存储chk问题    ( 1 2 ) (17/4127) lzt870614 2013-07-18 2015-11-18 07:38:45 by lxmdxmc
[Gaussian] [已完结]我用高斯计算溶液水平下的ECD谱出错，问题在哪里？ (7/1418) xwnail2003 2014-05-23 2015-11-18 07:06:56 by 风剑英
[Gaussian] [已完结]gauss (0/244) 风雨双龙山 2015-11-17 2015-11-17 23:59:14 by 风雨双龙山
[Gaussian] [已完结]高斯09 ccsd计算单点能出现能量振荡， (0/1878) 让你变成回忆 2015-11-17 2015-11-17 20:46:14 by 让你变成回忆
[Gaussian] [已完结]新手求问计算有机物/高分子电子轨道一般用什么软件校准？ (0/259) xjtu9026 2015-11-16 2015-11-16 17:17:36 by xjtu9026
[Gaussian] 反应势能曲线曲线的画法？？？ (0/2110) Angel wings 2015-11-16 2015-11-16 16:22:17 by Angel wings
[Gaussian] [已完结][关贴]Error termination via Lnk1e in /share/apps/gauss/g09/l301 如何改 (0/1822) w-y-x 2015-11-16 2015-11-16 15:22:21 by w-y-x
[Gaussian] [已完结]Error termination via Lnk1e in /public/home/ciac_wu_4/software//g09/l401.exe (0/1322) yoyo103108 2015-11-16 2015-11-16 14:39:11 by yoyo103108
[Gaussian] [已完结]激发单重态和三重态的吸收和发射能量怎么看？得到的UV-vis是吸收光谱吗？ (1/1241) 沧海小海 2015-11-16 2015-11-16 14:38:42 by 沧海小海
[Gaussian] [已完结]Gaussian 计算三重态错误终止 (3/1220) kuyedexiao 2015-11-16 2015-11-16 11:09:07 by 枪下游魂
[Gaussian] [已完结]Gaussian09 溶剂化发射光谱的例子第3步出错    ( 1 2 ) (10/2052) fengyunb51 2012-12-24 2015-11-16 09:55:15 by 雪狼乖乖
[Gaussian] [已完结]如何用高斯计算团簇的磁矩 (1/567) 顺其自然dyy 2015-11-14 2015-11-16 09:52:55 by 顺其自然dyy
[Gaussian] [已完结]为啥我计算好的.log文件下载下来results一栏只有summary可以点 (1/376) 蓝黑1874 2015-11-15 2015-11-16 07:29:08 by 枪下游魂
[Gaussian] 【求助】基组问题    ( 1 2 ) (13/2275) ww1987 2010-04-22 2015-11-15 19:33:34 by 二沅~
[Gaussian] 两个任务CHK文件重了要不要紧，需不需要重新算？ (9/1114) tpysdw 2015-11-11 2015-11-15 11:05:04 by tpysdw
[Gaussian] [已完结]过渡态IRC出现反复，反应path对称 (0/409) Jessie46 2015-11-15 2015-11-15 10:07:32 by Jessie46
[Gaussian] [已完结]能否帮我算下这两个构象的ECD图？ (6/678) xwnail2003 2015-11-11 2015-11-14 21:44:38 by xwnail2003
[Gaussian] [已完结]NTO计算问题 (0/1045) 986531548 2015-11-14 2015-11-14 15:04:06 by 986531548
[Gaussian] 粒径对反应的影响 (1/406) 禁卫军 2015-11-14 2015-11-14 10:29:33 by zhuguiqiu
[Gaussian] B3LYP/SDD(6D, 10F) basis输入问题    ( 1 2 ) (15/1544) joy11 2015-11-13 2015-11-13 21:51:59 by kong890109
[Gaussian] [已完结]关于过渡态能量的问题 (8/1605) 计算化学新人 2015-11-10 2015-11-13 16:43:32 by 计算化学新人
[Gaussian] [已完结]优化分子时出错了，但没提示哪里出错了？ (7/1020) 干掉小白兔 2015-11-10 2015-11-13 16:19:07 by 干掉小白兔
[Gaussian] [已完结]HOMO-LOMO (7/3360) 沉默言慧 2015-11-12 2015-11-13 13:08:36 by 沉默言慧
[Gaussian] [已完结]关于用高斯进行二面角扭转势能的计算 (6/2837) 雨思瑶 2015-11-12 2015-11-13 12:19:14 by 雨思瑶
[Gaussian] [已完结]跪求g09 D.01 Linux版 (9/1908) huilovezhe 2015-10-29 2015-11-13 11:49:09 by yiren86
[Gaussian] [已完结]ONIOM方法之UFF (5/1505) yxfwelldone 2012-12-25 2015-11-13 06:42:21 by 那年·时光飞
[Gaussian] [已完结]求大神帮忙 算一下下文中化合物的偶极矩！！ (2/530) 248706321 2015-11-09 2015-11-13 01:46:05 by 248706321
[Gaussian] [已完结]求CO2捕集吸收技术有关醇氨法反应中化学键能量分析 (2/436) wlh9home11 2015-11-10 2015-11-12 23:39:32 by wlh9home11
[Gaussian] [已完结]光诱导的反应机理怎么做？ (3/816) huilovezhe 2015-11-11 2015-11-12 23:30:54 by jiaojiao0113
[Gaussian] [已完结]小弟在计算ccsd方法遇到收敛的问题 (0/341) 让你变成回忆 2015-11-12 2015-11-12 17:58:43 by 让你变成回忆
[Gaussian] [专家] 用GaussView消虚频    ( 1 2 ) (评阅+5) (17/5049) beefly 2012-09-29 2015-11-12 04:36:46 by xiao_niao
[Gaussian] [已完结]Gaussian模拟求分子键能的思路。 (0/323) 蓝甲儿 2015-11-11 2015-11-11 22:33:49 by 蓝甲儿
[Gaussian] [已完结]guass 09 for windows 32位 (0/546) 赵xiao 2015-11-11 2015-11-11 21:35:27 by 赵xiao
[Gaussian] [已完结]QPErr --- A syntax error was detected in the input line    ( 1 2 ) (12/10249) 沉默言慧 2015-11-10 2015-11-11 16:58:03 by beefly
[Gaussian] [已完结]IOp(5/184) (0/388) mengsk 2015-11-11 2015-11-11 12:29:58 by mengsk
[Gaussian] [已完结][关贴]旋转能厽计算 (4/1058) 繁星寥落 2015-11-07 2015-11-10 19:23:38 by yangxing0827
[Gaussian] [已完结]新手求问 GAUSSIAN 运行 l103错误 (6/1336) 小风幻雨 2015-10-14 2015-11-10 17:30:22 by SYST
[Gaussian] [已完结]计算出错 (1/530) w824194485 2015-11-10 2015-11-10 16:56:24 by w824194485
[Gaussian] [已完结]M06-2x (0/1428) baomamotuo 2015-11-10 2015-11-10 15:04:30 by baomamotuo
[Gaussian] [已完结]求助大神：能量更高的反应中间体为什么会生成 (0/335) sdlszhanglu 2015-11-10 2015-11-10 12:46:20 by sdlszhanglu
[Gaussian] [已完结]对于AU和AG来说lanl2dz是最小的基组么。急！！ (0/474) pxhl 2015-11-10 2015-11-10 10:00:05 by pxhl
[Gaussian] 【求助】Density matrix is not changing but DIIS error= 2.85D-06 CofLast= 4.24D-0 (3/708) kathy2008 2011-01-22 2015-11-10 09:20:25 by mingjiayuwhu
[Gaussian] [已完结]优化后chk和log文件的结构键不一样 (2/1558) 8913813 2015-11-09 2015-11-10 08:33:19 by lgc020305
[Gaussian] [已完结]CIS计算的spin contamination特别大，该怎么办？ (3/631) owl_liu 2015-11-10 2015-11-10 08:32:30 by virtualzx
[Gaussian] [已完结]新手求问 GAUSSIAN 运行 l101错误 (1/2176) 流水乖怪 2015-11-09 2015-11-10 07:43:35 by 枪下游魂
[Gaussian] [已完结]大神帮忙看看2070的错误 (1/867) 沈大大军 2015-11-09 2015-11-10 07:42:36 by 枪下游魂
[Gaussian] [已完结]Gaussian计算能带 (0/1203) mengsk 2015-11-09 2015-11-09 16:30:29 by mengsk
[Gaussian] [已完结]高斯和ADF计算共振拉曼的阻尼因子 (0/486) 天外听香 2015-11-07 2015-11-07 12:35:12 by 天外听香
[Gaussian] [已完结]Gaussian的oniom计算中固定MM区优化报错 (9/2849) 雨萍 2012-07-20 2015-11-07 06:10:59 by 那年·时光飞
[Gaussian] [已完结]gaussian 可以计算能带结构吗 (0/539) mengsk 2015-11-06 2015-11-06 21:45:48 by mengsk
[Gaussian] [已完结]求助高斯计算时简化计算方面的文献 (1/644) 放羊的星星ljj 2014-10-13 2015-11-06 16:56:00 by yuxuu
[Gaussian] [已完结]优化出错！！！ Bend failed for angle。。。！    ( 1 2 ) (13/5822) haoguoyu 2014-05-12 2015-11-06 14:31:05 by 幸运兔
[Gaussian] [已完结]100个金币求从费米接触项到超精细耦合常数之间的系数 (0/606) grape_0805 2015-11-06 2015-11-06 12:53:01 by grape_0805
[Gaussian] [已完结]理论计算超精细耦合常数的意义 (0/1371) xxinusa 2015-11-05 2015-11-05 22:03:20 by xxinusa
[Gaussian] [已完结]Gaussian模拟甲基橙分子 (0/310) 蓝甲儿 2015-11-05 2015-11-05 16:42:27 by 蓝甲儿
[Gaussian] [已完结][关贴]用qst2中计算出错，不知道是什么原因。 (0/773) 枫红无言123 2015-11-05 2015-11-05 15:47:35 by 枫红无言123
[Gaussian] [已完结]高斯view成键 (2/1523) 禁卫军 2015-09-15 2015-11-05 12:17:54 by 禁卫军
[Gaussian] [已完结]混合溶剂介电常数 急求高手解答 (4/1755) 追风de老头子 2013-04-03 2015-11-05 08:39:21 by himyou
[Gaussian] 高斯中键伸缩力常数与键角力常数的计算 (6/2793) liuyusuc 2011-06-16 2015-11-04 11:49:46 by yejunge
[Gaussian] [已完结]计算过渡态 (6/1417) Low_key 2015-11-02 2015-11-03 16:38:05 by Low_key
[Gaussian] [已完结]求两篇lanl2dz加极化函数的原始文献 (1/797) kaegi 2011-07-01 2015-11-03 11:42:44 by museld
[Gaussian] gaussian03_Linux_64 (15/1147) 568286346 2013-06-29 2015-11-03 11:22:44 by ZDBWHZ
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