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[热点] 什么是人一生最重要的？ 瞬息宇宙 2026-02-26 刚刚
[Gaussian] [已完结][关贴]高斯输出文件input orientation求助 (0/689) intro987 2016-06-27 2016-06-27 23:04:29 by intro987
[Gaussian] [已完结]求用origin画gaussion计算的ECD图的方法,步骤 (7/2077) oliverwuwei 2015-06-19 2016-06-27 20:52:56 by oliverwuwei
[Gaussian] [已完结]BHandHLYP方法[]，6-311++G(d,p)[] LANL2DZ[] 的相关文献 (1/665) 萨斡野 2016-06-21 2016-06-25 09:20:50 by 萨斡野
[Gaussian] [已完结]高斯09优化计算时，中途断电怎么继续计算啊？    ( 1 2 ) (10/5673) panlkong 2016-04-30 2016-06-23 15:35:47 by 张瑞雯
[Gaussian] [已完结]如何计算d电子数 (0/2211) 498746012 2016-06-23 2016-06-23 11:13:13 by 498746012
[Gaussian] [已完结]求助 (0/234) 浪人剑客 2016-06-22 2016-06-22 23:27:08 by 浪人剑客
[Gaussian] [已完结]gaussian LSF 运行 (5/1460) Jiansh 2015-04-18 2016-06-22 16:38:50 by damihu2011
[Gaussian] [已完结]Gaussian Warning -- explicit consideration of 12 degrees of freedom 。。。 (1/549) huchunxia 2016-06-15 2016-06-20 16:00:28 by huchunxia
[Gaussian] [已完结]Gaussian 热力学数据分析 求教 (0/1424) huchunxia 2016-06-20 2016-06-20 12:17:32 by huchunxia
[Gaussian] 高斯算出的电子能量，最后那几位数是不是可以忽略？ (2/628) crosschannel 2016-02-28 2016-06-20 05:46:31 by virtualzx
[Gaussian] ONIOM计算中泛函设置的问题，谢谢指点。 (8/1832) 小范范1989 2016-06-10 2016-06-19 09:43:14 by 小范范1989
[Gaussian] [已完结]如何在深圳超算中，用guassian    ( 1 2 ) (15/1883) 沐春风110 2016-04-27 2016-06-17 13:45:47 by mashoutao
[Gaussian] [已完结]谢谢 (1/508) 博雅LMZ 2016-04-20 2016-06-17 11:39:29 by zhaoyangstar
[Gaussian] [已完结]高斯偶极矩计算出的规律和预期不符，怎么解决？ (9/2018) LGTstephen 2016-06-15 2016-06-17 08:44:33 by LGTstephen
[Gaussian] [已完结]量化新手~数据处理 (6/747) huihuibulaji 2016-06-15 2016-06-17 08:18:52 by huihuibulaji
[Gaussian] [已完结]linux下gaussian如何提高软件运行时需要的内存，有大量空余的内存没有用 (9/1508) Adlai 2016-06-14 2016-06-16 15:06:57 by Adlai
[Gaussian] [已完结]求助：分析 nature of O-O bonds in these products，具体哪方面性质？怎样算？急急 (5/856) 15064003012 2016-06-14 2016-06-16 14:56:20 by NSC2010
[Gaussian] 使用高斯计算溶剂化自由能时遇到的问题    ( 1 2 ) (10/1596) 携手飞翔 2016-06-13 2016-06-16 10:39:11 by 携手飞翔
[Gaussian] [已完结]请问如何在Gaussian中计算次氯酸根的PKa值，在线等，急！ (2/550) 晨风和尘封 2016-06-14 2016-06-15 13:56:13 by 晨风和尘封
[Gaussian] [已完结]求解答：2px/3px系数 (2/503) xzh410512206 2016-06-15 2016-06-15 13:50:44 by xzh410512206
[Gaussian] [已完结]求助回答审稿人意见    ( 1 2 ) (10/1090) kent1022 2014-03-10 2016-06-14 10:35:39 by pppang2006
[Gaussian] [已完结]溶剂化效应与过渡态的问题 (3/1374) luojin7653 2012-07-13 2016-06-14 06:02:36 by 疯狂Teddy
[Gaussian] [已完结][关贴]阿伦尼乌斯公式中的活化能和指前因子 (0/2875) llongtan 2016-06-13 2016-06-13 13:42:02 by llongtan
[Gaussian] [已完结]Kohn Sham (KS) orbitals (9/1098) yxdmjl 2016-04-30 2016-06-13 10:27:07 by yxdmjl
[Gaussian] [关贴]Gaussian基础入门资料及软件下载    ( 1 2 3 ) (104/9245) lankadesufei 2015-07-04 2016-06-12 17:06:27 by bmwanm12
[Gaussian] [已完结][关贴]求助多个单电子的算法 (0/266) zhaoyxcas 2016-06-12 2016-06-12 11:30:17 by zhaoyxcas
[Gaussian] [已完结]电偶极矩、HOMO与LUMO能量计算 (2/1203) kent1022 2012-08-09 2016-06-11 12:12:17 by chm_liyx
[Gaussian] [已完结]请教高斯计算偶极矩log文件和fchk文件结果不一致问题 (0/1186) chm_liyx 2016-06-11 2016-06-11 10:24:35 by chm_liyx
[Gaussian] [已完结]Cubegen job计算失败，找不到原因，求高手解答 (6/2479) xilicui 2015-06-07 2016-06-10 18:19:29 by cf_success
[Gaussian] [已完结][关贴]fchk=all 的语法问题 (0/527) tritiger 2016-06-09 2016-06-09 16:32:33 by tritiger
[Gaussian] [已完结]如何利用Gaussian计算两个自由基中间体的能量高低，以说明两者的稳定性的大小？ (3/864) 1056336909 2016-06-07 2016-06-07 11:20:29 by 1056336909
[Gaussian] [已完结]高斯上如何得到键长数据，以及原子凈电荷分布    ( 1 2 ) (10/3964) guodianzhu 2016-06-03 2016-06-07 08:38:09 by 不取俗名
[Gaussian] [已完结]200个原子体系计算弱相互作用    ( 1 2 ) (17/1726) Fimder_4 2015-10-24 2016-06-07 06:06:28 by virtualzx
[Gaussian] [已完结]AgNO3优化 (8/914) 水合二氧化硅 2016-06-03 2016-06-06 10:32:39 by CVN16
[Gaussian] [已完结]TD-DFT计算CD光谱问题    ( 1 2 ) (12/3709) zhuangshl 2011-05-10 2016-06-05 21:29:31 by ghlsx
[Gaussian] [已完结]如何修改gaussview原子的原色 (2/2257) guodianzhu 2016-06-03 2016-06-05 09:59:36 by guodianzhu
[Gaussian] [已完结]请问有朋友用过TD-DFT计算一个手性化合物的R或S构型的ECD谱吗？ (6/1560) moonboat 2011-08-26 2016-06-04 21:31:55 by ghlsx
[Gaussian] [已完结]我用B3LYP优化了构象，再采用大基组计算了ECD图谱。现在想改用b3pw97算法计算ecd (8/1100) xwnail2003 2014-07-01 2016-06-04 21:28:38 by ghlsx
[Gaussian] Introduction to Gaussian (17/943) zhaoyichem 2011-12-31 2016-06-04 08:18:06 by akaishuichi6
[Gaussian] [已完结]Linux系统下安装Gaussian需要序列号吗？ (2/785) pgohi 2016-05-31 2016-06-04 07:57:04 by xwnail2003
[Gaussian] [已完结]高斯计算水溶液小分子反应能 (0/335) chemstx 2016-06-03 2016-06-03 17:57:59 by chemstx
[Gaussian] [已完结]急急急！在线等，激发态优化L914报错怎么破 (0/584) qingjing99 2016-06-01 2016-06-01 11:55:50 by qingjing99
[Gaussian] [已完结]QST2 (4/2341) 夏之风12 2016-05-13 2016-05-31 12:07:08 by G03W
[Gaussian] [已完结]高斯优化一氧化氮三聚物    ( 1 2 ) (11/1542) Barcelonalyy 2016-05-28 2016-05-30 17:39:15 by tawfischer
[Gaussian] 几何优化 (5/519) Chem-香帅 2016-05-26 2016-05-30 11:20:13 by G03W
[Gaussian] 求量子化学培训班 (5/830) benniu2004 2016-05-24 2016-05-30 09:10:05 by benniu2004
[Gaussian] [已完结][关贴]单点能计算 (0/829) lastzealot 2016-05-29 2016-05-29 22:48:02 by lastzealot
[Gaussian] [已完结]文献求助 (1/260) zch2016 2016-05-29 2016-05-29 17:15:01 by 不取俗名
[Gaussian] [已完结]the LR-PCM approach是什么方法 (0/244) zch2016 2016-05-29 2016-05-29 16:43:07 by zch2016
[Gaussian] [已完结]高斯计算    ( 1 2 3 4 ) (39/1582) Hera-why 2016-05-22 2016-05-27 14:08:27 by 小男孩-
[Gaussian] [已完结][关贴]高斯新手求教，segmentation violation错误 (1/4765) 霍家小公举 2016-05-25 2016-05-26 18:11:00 by 霍家小公举
[Gaussian] [已完结]guassian03算着算着就出错了，不晓得怎么回事，请大神来看看 (5/1116) Otar1990 2015-05-19 2016-05-26 05:23:28 by wan323
[Gaussian] 对于在晶体库没有晶胞结构的物质如何进行计算？ (2/521) namiwenti 2016-05-24 2016-05-24 22:45:33 by namiwenti
[Gaussian] [已完结]求Gauss软件支持Win7 64位的 谢谢 (0/753) wdb125 2016-05-24 2016-05-24 16:34:53 by wdb125
[Gaussian] [已完结]急求CCSD全拼----求CCSD全拼-----求CCSD全拼-----求CCSD全拼 (4/639) 洛神大炳 2016-05-21 2016-05-24 16:10:31 by lotte123
[Gaussian] [已完结]高斯计算    ( 1 2 ) (19/1387) Barcelonalyy 2016-05-21 2016-05-23 13:57:45 by Hera-why
[Gaussian] 高斯频率分析关于热力学的几个问题 (2/2276) 左里 2014-12-11 2016-05-23 12:28:11 by 木儒
[Gaussian] [已完结]有机自由基自旋密度分布及超精细分裂常数（a值）的计算 (0/1259) alanyi1002 2016-05-23 2016-05-23 10:34:04 by alanyi1002
[Gaussian] [已完结]scrf=(cpcm,solvent=water)不加read (6/3591) guodianzhu 2016-05-21 2016-05-22 23:38:44 by 三石草祭
[Gaussian] [已完结][关贴]关于频率校正有三个因子，请问如何应用 (3/340) lastzealot 2016-05-13 2016-05-22 18:09:46 by lastzealot
[Gaussian] [已完结][关贴][Cl---H---F]-优化    ( 1 2 ) (11/1073) lzuwb 2016-05-14 2016-05-22 11:13:49 by zhou2009
[Gaussian] 求助，有没有好心的虫友 (25/1519) 爱人者人爱之 2016-05-01 2016-05-22 10:40:01 by ppl罗佩佩
[Gaussian] [已完结]linux系统，高斯计算，如何配置环境变量 (0/804) chzhbin 2016-05-22 2016-05-22 09:40:15 by chzhbin
[Gaussian] [已完结]高斯计算 (0/319) Barcelonalyy 2016-05-21 2016-05-21 21:12:06 by Barcelonalyy
[Gaussian] [已完结]计算分子间质子转移的基态时，出现了问题 (2/584) qinxiaozhuan 2016-05-16 2016-05-21 18:29:33 by xytk04
[Gaussian] [已完结]S0和S1态的轨道能不变 (6/1151) qingjing99 2016-05-19 2016-05-20 15:13:01 by 小范范1989
[Gaussian] 【讨论】密度泛函方法对基态臭氧分子的几何优化，非限制性U和限制性R为什么会有区别？ (2/645) 奔鲨 2010-11-01 2016-05-20 13:47:42 by zjf1
[Gaussian] [已完结]求助有没有方法计算Pb2+的电离能或者哪里能查到实测值 (1/448) proton8 2016-05-19 2016-05-19 21:24:05 by proton8
[Gaussian] [已完结]关于垂直电离能和绝热电离能求解 (1/2068) 奈落丢丢 2016-05-19 2016-05-19 16:44:46 by 奈落丢丢
[Gaussian] [已完结](cooch3)2 优化结构 刚接触，不知道是结构式出错还是？？？    ( 1 2 ) (10/2212) byyd 2016-05-16 2016-05-18 08:26:41 by byyd
[Gaussian] [已完结][关贴]我运行高斯计算的时候，老出现error message2066错误求高手指点 (1/6650) 谭路路 2016-05-14 2016-05-17 21:43:07 by 谭路路
[Gaussian] atomic polar tensor derived charges(APT电荷) (0/594) zhe852456 2016-05-17 2016-05-17 20:48:20 by zhe852456
[Gaussian] [已完结]自由基超精细分裂常数模拟 (0/1460) alanyi1002 2016-05-17 2016-05-17 10:23:12 by alanyi1002
[Gaussian] [已完结]请教HOMO-LUMO带隙能的影响因素。 (5/2067) ll1047836296 2016-03-17 2016-05-16 13:04:53 by ll1047836296
[Gaussian] [已完结]Gaussian计算吸收光谱不收敛的问题 (4/758) huang.sheng 2016-05-13 2016-05-16 10:47:59 by huang.sheng
[Gaussian] [已完结]请问如何用gaussian计算不同浓度下的Thermochemistry？ (4/692) 1006094470 2014-08-11 2016-05-16 07:23:42 by 木儒
[Gaussian] [已完结][关贴]高斯溶剂化 自定义溶剂 (0/2333) 展盼2012 2016-05-15 2016-05-15 00:13:04 by 展盼2012
[Gaussian] 分子构形优化 (0/218) SXJ_xmc 2016-05-13 2016-05-13 15:57:22 by SXJ_xmc
[Gaussian] [已完结]高斯 (0/276) ltt20144015 2016-05-13 2016-05-13 09:55:43 by ltt20144015
[Gaussian] 高斯计算freq后，零点能，修正能的问题 (8/2567) 小范范1989 2014-11-16 2016-05-13 07:14:09 by 小范范1989
[Gaussian] [已完结]怎么去找某个物质的晶体坐标 (0/265) 2012002551 2016-05-12 2016-05-12 15:31:03 by 2012002551
[Gaussian] 关于寻找过渡态的一个小技巧    ( 1 2 ) (17/4959) youyno 2014-12-24 2016-05-12 13:20:19 by Adlai
[Gaussian] [已完结]cube file (3/660) 愤怒的小强 2016-05-11 2016-05-11 13:06:13 by jxxyshxy
[Gaussian] [已完结]客体与环糊精形成氢键的位置    ( 1 2 ) (15/1748) 6309155 2016-05-05 2016-05-09 13:22:43 by 不取俗名
[Gaussian] [已完结]小白一枚，编辑要求计算图中的内容，求知具体步骤 (2/612) ultra小雨 2016-05-06 2016-05-09 09:16:39 by 十年磨练
[Gaussian] HNU2016计算化学训练班报名啦！！ (1/797) zeminwu32 2016-04-15 2016-05-08 09:43:58 by 第十九路猪猴
[Gaussian] [已完结]扫描势能面 (2/622) ZHOUQIAOQIAO 2015-12-21 2016-05-06 16:46:54 by 挚爱紫金
[Gaussian] [已完结]各位高手求救啊。gauss计算键解离能的问题 (4/1592) 623536114 2015-12-06 2016-05-04 13:07:27 by shiqiulang
[Gaussian] [已完结]谁知道在超算中心上怎么把chk文件转变为fchk文件，每次formchk说没这个命令 (6/2963) 学员f8qsBw 2016-05-02 2016-05-03 21:01:06 by 粽萌萌_
[Gaussian] [已完结]过渡态IRC都正常，但IRC产物的最后一点优化却与预想的产物不同，求解？ (2/966) luckyyjjun 2015-06-17 2016-05-03 14:41:52 by dandan小布袋
[Gaussian] [已完结]基元反应无能垒怎么确定反应路径？ (0/785) Andy376 2016-05-03 2016-05-03 13:10:43 by Andy376
[Gaussian] 求助：这个两个分子是什么结构啊，是共面吗。 (2/595) 王小贱361 2016-04-30 2016-05-02 20:23:59 by zhou2009
[Gaussian] 求助：络合物如在高斯软件中构建 (2/437) 王小贱361 2016-04-28 2016-04-30 15:42:23 by 王小贱361
[Gaussian] [已完结][关贴]安装 gv-412-Linux的问题求助 (8/2559) bianyuan2680 2016-04-27 2016-04-30 00:46:59 by weibaichuan
[Gaussian] [已完结]在有关激发态的输出结果中，下图里f代表什么 (4/819) 彼岸无岸 2016-04-28 2016-04-28 22:23:51 by 小范范1989
[Gaussian] [已完结]Ni团簇中掺杂氧化钾的结构模型！！！！ (3/724) 一滴水的梦 2016-04-25 2016-04-27 19:14:30 by 一滴水的梦
[Gaussian] [已完结]求助高斯软件SAC-CI方法的使用 (1/1247) 不茶丶Air 2016-04-25 2016-04-27 10:47:47 by 不茶丶Air
[Gaussian] [已完结]求Gaussian03或·09 适用于windows8系统    ( 1 2 ) (11/1301) 风剑英 2015-11-14 2016-04-27 09:41:14 by 徐氏小浩
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