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    [热点] 有没有人能给点建议 深蓝的天空 2026-01-16 刚刚
    [Gaussian] [求助] gaussview 3 下载 (7/1189) fengj 2007-06-30 2008-04-09 10:56:17 by 北京一叶567
    [Gaussian] [求助] l1 的错误解决 8 (9/1011) pheonix98 2008-04-07 2008-04-09 09:18:17 by K372
    [关贴]分子锦囊（Sachet） (4/212) homeboyzb 2008-03-03 2008-04-08 22:55:56 by 小红豆
    [Gaussian] 【求助】怎样方便地把内坐标转换成直角坐标 (4/631) lixiaona158 2008-04-07 2008-04-08 20:00:41 by loser2007
    [Gaussian] 【求助】高斯98或03 程序软件 (5/487) lxcyanjiu 2008-04-01 2008-04-08 19:22:14 by biezhi
    [Gaussian] 【求助】关于dftba (0/120) zhaohuxian 2008-04-08 2008-04-08 14:59:05 by zhaohuxian
    [Gaussian] 【求助】使用Gaussian如何构建团簇 (3/599) liuxingyu585 2008-04-07 2008-04-08 14:55:05 by liuxingyu585
    【求助】关于化合物二面角的测定, 为了毕业,急 (2/321) lusa 2008-04-08 2008-04-08 11:11:04 by lusa
    [Gaussian] [求助]过渡金属配合物 分裂能 (1/160) mengsk 2008-04-02 2008-04-08 08:06:30 by mengsk
    [Gaussian] 求助 gaussian linux问题 (1/261) mutou1111111 2008-04-06 2008-04-08 05:38:27 by jjf_sxnu
    [Gaussian] 【求助】 Fe3+的占据轨道和未占据轨道的能量 (6/537) 木头harry 2008-04-07 2008-04-07 21:23:34 by lindongcheng
    【求助】《分子模拟的原理与应用》这本书怎么样？ (8/924) ghcacj 2008-04-06 2008-04-07 19:08:52 by wang_xing11
    [Gaussian] 求助：高斯如何计算紫外谱图？？    ( 1 2 ) 4 (评阅-2) (11/1045) joy412 2008-04-01 2008-04-07 16:27:54 by tsihu
    [Gaussian] [求助] 用ccsd(t)作计算时需要注意的问题？ (0/129) xiaowandouer 2008-04-07 2008-04-07 16:06:11 by xiaowandouer
    [Gaussian] [求助] 优化构型总是不收敛，老出LINK9999错误，加些什么关键词可以使其收敛呢，谢谢 (3/415) irishes 2008-04-07 2008-04-07 12:41:18 by lixiaona158
    [Gaussian] 【求助】用QCISD运算出错 望各位老大帮忙，急，谢谢！ 1 (5/744) visionary 2008-04-06 2008-04-07 10:07:47 by cuihang
    ［求助］insight的安装 5 (1/357) cloudsea163 2008-04-06 2008-04-06 17:52:00 by bonnyzj
    [Gaussian] [求助]请教这个输出说明了什么？ (3/450) nature617 2008-04-06 2008-04-06 12:06:23 by nature617
    [Gaussian] 利用Gauss和Molden查看分子的轨道和电子密度等势图 (15/1675) lindlar0078 2007-04-05 2008-04-06 10:08:29 by csfn
    [Gaussian] 基组查询与输入 （主族＋过渡金属 ECP＋all electron basis set） (7/692) zzgyb 2008-02-26 2008-04-06 08:59:43 by coolter2001
    [Gaussian] 【求助】这种物质在GUASSIAN VIEW中如何构建啊？ (2/438) abin21 2008-04-05 2008-04-06 08:38:17 by lixiaona158
    [Gaussian] 【求助】关于极性的问题 (0/115) anpangzi 2008-04-05 2008-04-05 23:16:57 by anpangzi
    [Gaussian] guassian使用经验 (22/5043) zzgyb 2008-01-08 2008-04-05 19:39:38 by 小红豆
    [Gaussian] 【求助】能用TD CIS 算发射光谱吗 (8/628) tom2003cat 2008-03-25 2008-04-05 17:23:16 by haijunniu
    [Gaussian] 【求助】guassian 可以算物质中离子的半径不？ (0/148) abin21 2008-04-05 2008-04-05 17:07:09 by abin21
    [Gaussian] 【求助】请问如何用Gaussian计算材料的非线性光学系数 (3/366) MLei_0 2008-04-03 2008-04-05 16:59:55 by haijunniu
    [Gaussian] 【求助】又失败了！对于化学反应氯酸钾＋硫磺＝氯化钾＋二氧化硫的过渡态寻找. (1/607) doublefeng 2008-04-04 2008-04-05 09:34:40 by cuihang
    [Gaussian] [求助]请教基组加极化函数问题 (5/558) nature617 2008-04-03 2008-04-04 22:57:55 by nature617
    [Gaussian] [求助]加freq pop=nbo后出现502错误 (3/425) su571 2008-04-03 2008-04-04 06:49:17 by llhxaustin
    [Gaussian] 【求助】在高斯中怎么进行TD－DFT－TB的计算，新手，谢谢啦 10 (1/273) zhaohuxian 2008-04-03 2008-04-03 20:28:44 by jghe
    [Gaussian] [求助]请问几何优化和核磁能一起做吗?新手多谢New (5/613) zhaohongjie 2008-04-03 2008-04-03 19:28:34 by zhaohongjie
    [Gaussian] [求助]502计算过程出错 (4/630) iamsw 2008-04-03 2008-04-03 18:20:43 by iamsw
    [求助]用动力学模拟溶液体系如何求溶剂化能 (0/115) tpp001 2008-04-03 2008-04-03 15:07:12 by tpp001
    [Gaussian] [求助]如何读取Gaussian输出文件中轨道系数(新手) (9/1251) zhaohongjie 2008-04-02 2008-04-03 12:43:13 by liliracial
    [Gaussian] [求助]stable 的一个问题 (1/120) 学员5dMass 2008-04-03 2008-04-03 12:23:56 by hairan
    [Gaussian] [求助]如何输入赝势基组啊？ (2/466) abin21 2008-04-03 2008-04-03 12:21:07 by hairan
    [Gaussian] [求助] 高斯98或03程序软件（上面几个序列号不对） (3/615) lxcyanjiu 2008-04-01 2008-04-03 10:41:00 by lxcyanjiu
    [Gaussian] [求助]基组问题 (3/357) hufeng 2008-04-02 2008-04-02 22:15:59 by hufeng
    [Gaussian] 【求助】大家帮帮我！１１４出错了！ (4/470) zhaideming 2008-03-30 2008-04-02 21:50:25 by hairan
    [Gaussian] Gaussview对称性小技巧 (3/988) oulihui666 2008-03-22 2008-04-02 20:57:36 by lingznpmg
    [Gaussian] 【求助】大家帮帮忙！谢谢 (0/123) zhaideming 2008-04-02 2008-04-02 20:55:33 by zhaideming
    【求助】NPT系综    ( 1 2 ) (13/876) honghuzlj 2008-03-25 2008-04-02 20:47:58 by honghuzlj
    [Gaussian] 【求助】高斯计算低聚物一个单元的时候两侧的键如何处理 2 (4/358) acnes 2008-04-01 2008-04-02 20:25:28 by acnes
    [Gaussian] 【求助】新手求助，关于optical gap (0/87) zhaohuxian 2008-04-02 2008-04-02 16:56:02 by zhaohuxian
    [Gaussian] 【求助】分析比较分子的稳定性 (2/303) sxllgaoli898 2008-04-02 2008-04-02 16:08:05 by sxllgaoli898
    [求助]请教一个动力学模拟的知识 (1/518) tpp001 2008-04-02 2008-04-02 11:22:30 by yzhhlq_1983
    [Gaussian] [求助]请问gaussian能否在vista环境下运行 (3/326) 霜天358 2008-03-25 2008-04-02 10:39:17 by chen_shaoyun
    [求助]做动力学分析时出现overflow？ (3/361) tpp001 2008-04-01 2008-04-02 10:20:18 by saitou
    [Gaussian] 【求助】基组问题 (2/334) lixiaona158 2008-04-01 2008-04-02 09:58:11 by lixiaona158
    [Gaussian] 【求助】 关于LANL2DZ基组 (4/490) lixiaona158 2008-04-01 2008-04-02 09:09:09 by xiaowandouer
    [Gaussian] 【求助】CCSD(T)(maxcyc=200)/genecp opt(tight) freq scf(tight)优化出错，谢谢 (6/1191) zhaideming 2008-03-31 2008-04-01 19:17:12 by hczheng899
    【求助】请问怎样建立模型 (2/223) yding99 2008-03-21 2008-04-01 15:29:46 by yzhhlq_1983
    [求助]分子动力学模拟相变过程容易还是扩散过程容易？ (4/592) yelverxm 2008-03-10 2008-04-01 14:29:38 by lei0736
    [Gaussian] [求助]怎么解决freq计算中出现的warning！ (0/128) doublefeng 2008-04-01 2008-04-01 11:55:26 by doublefeng
    [Gaussian] [求助]scan扫描设置 (2/453) su571 2008-04-01 2008-04-01 11:43:38 by su571
    [Gaussian] 【求助】:关于L502出错求助 5 (4/500) loser2007 2008-03-25 2008-04-01 10:40:15 by diy670
    [求助] 关于力场的问题 (0/186) leohhq 2008-04-01 2008-04-01 08:50:29 by leohhq
    [Gaussian] [求助]windows下文件到unix下的转换 (5/519) nature617 2008-03-31 2008-04-01 07:34:56 by wjmed
    [求助] 求免费MC软件下载连接 (3/347) tpp001 2008-03-31 2008-03-31 11:01:17 by y1ding
    【求助】关于建模的问题 (6/322) yding99 2008-03-21 2008-03-31 08:45:09 by yding99
    [Gaussian] [求助］扭转过渡态的处理技巧 (1/181) xiafuting 2008-03-30 2008-03-30 17:48:50 by cuihang
    [Gaussian] 【求助】G98计算完以后，为什么无法用gaussview打开检查点文件? (5/447) sxllgaoli898 2008-03-29 2008-03-30 16:18:01 by sxllgaoli898
    [Gaussian] 有关G03的几个PPT (评阅+1) (9/600) 百合189 2008-03-29 2008-03-30 10:54:38 by 百合189
    [Gaussian] 【求助】关于GUAASIAN做分子模拟的问题 (4/375) yuluzu 2008-03-29 2008-03-30 07:35:36 by xianxianlu
    [Gaussian] [求助]谁做过像Mg(CH3OH)3 这样的结构啊? (1/108) 36du 2008-03-28 2008-03-29 23:58:43 by byf_z
    [Gaussian] 【求助】Effective Nuclear Charge 有效核电荷 (2/1017) abin21 2008-03-26 2008-03-29 21:05:37 by herosmzd
    [Gaussian] [求助]在gaussview里如何固定两个大分子的一个,移动另一个??? (2/5720) zjy1818 2008-03-29 2008-03-29 21:02:19 by jghe
    [Gaussian] [求助]关于某些原子进行部分优化问题 4 (6/447) zjy1818 2008-03-29 2008-03-29 17:39:22 by zjy1818
    [Gaussian] 【求助】结合能分析时选哪个能量 (3/377) lindongcheng 2008-03-28 2008-03-29 00:01:06 by tutu2000
    [Gaussian] 【求助】怎样用gaussian搭建c62富勒烯 (2/370) wxl19830403 2008-03-27 2008-03-28 20:17:00 by jghe
    [求助]菜鸟请教一个分子动力学问题 (3/467) tpp001 2008-03-26 2008-03-28 15:23:52 by saitou
    【求助】遇到怪事，同一个C程序两台电脑算的结果不一样    ( 1 2 ) (10/878) truewz 2008-03-23 2008-03-28 15:22:05 by saitou
    【求助】如何将两个分子对接？ (2/653) shangyh 2008-03-25 2008-03-28 15:13:49 by saitou
    [Gaussian] 【求助】 收敛又失败了。很着急。    ( 1 2 ) 1 (11/721) lixiaona158 2008-03-27 2008-03-28 09:30:31 by lixiaona158
    [Gaussian] 请教gaussian98报错问题 (评阅-2) (1/197) sunny_sky681 2008-03-04 2008-03-28 09:14:40 by zzgyb
    [Gaussian] 【求助】请帮忙解决个计算的出错 1 (7/950) pheonix98 2008-03-25 2008-03-27 21:31:57 by hairan
    [Gaussian] 【求助】请问在哪查实验值的键长键角 1 (4/775) ccc13 2008-03-26 2008-03-27 08:45:44 by lixiaona158
    【求助】分子模拟 (5/391) wlnkiddy 2008-03-19 2008-03-27 01:14:33 by saitou
    [Gaussian] [求助] Hg 应该用什么基组啊？ (3/322) abin21 2008-03-25 2008-03-26 20:14:54 by lixiaona158
    [Gaussian] [求助]求基态出现9999错误 (3/320) su571 2008-03-26 2008-03-26 11:29:16 by su571
    [Gaussian] 求助G03W溶剂定义问题 (评阅-2) (2/244) wanshidaji 2008-03-26 2008-03-26 10:19:28 by tpp001
    [Gaussian] [求助]怎样做七个分子的正八面体结构 (2/302) 36du 2008-03-26 2008-03-26 08:58:53 by 36du
    [Gaussian] 【求助】收敛问题 （10金币分给大家）    ( 1 2 ) 10 (13/934) lixiaona158 2008-03-24 2008-03-26 08:33:03 by lixiaona158
    [Gaussian] [求助]gaussian中计算的频率是气相中的吗 (6/590) 36du 2008-03-19 2008-03-25 16:37:42 by ccc13
    [Gaussian] 【求助】关于gaussian计算问题！ (2/381) flash8407 2008-03-25 2008-03-25 16:01:56 by cuihang
    [Gaussian] 【求助】关于弱相互作用力的计算    ( 1 2 ) 13 (10/918) loser2007 2008-03-17 2008-03-25 15:20:19 by iamsw
    【求助】kinetic diameter (0/219) ustc 2008-03-22 2008-03-25 08:42:53 by ustc
    [Gaussian] 【求助】L103错误 (0/247) su571 2008-03-23 2008-03-25 08:42:35 by su571
    [Gaussian] 【求助】4个CPU 的 LINUX 比1个CPU 下的WINDOWS (5/389) zhlxin 2008-03-24 2008-03-24 23:56:02 by tutu2000
    [Gaussian] [求助]大家帮我看一下这个问题怎么解决？ (5/388) doublefeng 2008-03-24 2008-03-24 22:52:53 by tpp001
    【求助】为什么每次的静电势计算结果不一样 (0/136) 西风少年 2008-03-24 2008-03-24 22:19:17 by 西风少年
    [Gaussian] 【求助】麻烦大家帮看看为什么总是这样？ (1/152) zhaideming 2008-03-24 2008-03-24 18:13:01 by hairan
    [Gaussian] [求助]如何在g03w中构建雷酸锌的计算模型 (4/400) menweideai 2008-03-23 2008-03-24 18:09:50 by menweideai
    [Gaussian] [求助]怎样做势能面扫描 (9/1338) yyx19840628 2008-03-11 2008-03-24 14:56:13 by ppwzq
    [Gaussian] [求助]关于opt(maxcycle=100)的设置问题。 (4/2028) doublefeng 2008-03-19 2008-03-24 09:35:42 by zhaoguodong
    [Gaussian] [求助]溶剂中优化结构: died at link502 (2/502) greatqi 2008-03-18 2008-03-24 09:05:39 by greatqi
    各位大侠,有没有懂得这几种理论计算的 (评阅-2) (4/500) lwb444 2008-03-21 2008-03-23 23:19:39 by lwb444
    刚开始涉及分子动力学模拟这一块，想照位大侠指点一下！ (评阅-2) (0/106) Tristan_lcy 2008-03-23 2008-03-23 21:54:50 by Tristan_lcy
    [Gaussian] 【求助】CCSD优化过程中913出错 (1/158) zhaideming 2008-03-23 2008-03-23 19:52:23 by liutao_jlu822
    [Gaussian] 【求助】MP2和CCSD优化过程问题 (3/488) zhaideming 2008-03-23 2008-03-23 18:50:07 by iamsw
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