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[热点] 药学专硕调剂 ? 一路生?花? 2026-04-13 刚刚
[Gaussian] [已完结]求助：那位仁兄帮忙用高斯或类似的软件算一下下面物质的标准摩尔生成焓，先谢了 (0/1052) guanqiqi 2011-07-04 2011-07-04 09:19:40 by guanqiqi
[Linux应 ] [已完结]Gaussian 09 Linux在 Ubuntu 10.04下装不上（运行./install没有回应） (5/2574) liyuanhe211 2011-05-15 2011-07-03 10:05:03 by superfan
[Gaussian] [已完结]请问甲酸钾HCOOK的电荷数、自旋多重度分别是0、1吗 (1/331) 西瓜霜 2011-07-03 2011-07-03 09:55:05 by zhou2009
[ChemOff ] [已完结]求助chem3D溶质与溶剂对接问题 (1/538) 饭饭316 2011-07-01 2011-07-02 20:49:16 by sobereva
[Gaussian] [已完结]在关核独立化学位移输出结果的问题 (5/849) liuzhengjun0427 2011-07-02 2011-07-02 15:23:25 by liuzhengjun0427
[Gaussian] [已完结]从check文件读取错误 (1/754) zq5536 2011-06-30 2011-07-02 10:56:26 by fatpig8832
[Gaussian] [已完结]高斯优化求助 (7/1726) 锋线杀手 2011-06-30 2011-07-02 10:16:17 by yongleli
[Gaussian] [已完结]体系电导性怎么求啊，是将其中的各原子电导性相加吗 (0/212) liuy1235 2011-07-02 2011-07-02 09:24:45 by liuy1235
[Gaussian] [已完结]中间体优化不到 (8/1846) aimonkey 2011-06-01 2011-07-01 20:59:18 by wslnwzj
[量化新手 ] [已完结]ESIPT求助 (0/284) 锋线杀手 2011-07-01 2011-07-01 20:43:37 by 锋线杀手
[量化新手 ] [已完结][关贴]关于量子化学计算的疑问 (1/289) jingetiema61 2011-07-01 2011-07-01 15:37:29 by 375642546
[Gaussian] [已完结]有用Gaussian计算CASSCF/CASPT2的吗？功能怎么样？ (1/1749) chinayhb 2011-07-01 2011-07-01 12:22:51 by beefly
[量化图形 ] [已完结]求DS ViewerPro 6.0软件，非常感谢 (3/1137) lren 2011-05-16 2011-07-01 10:57:58 by lren
[Gaussian] [已完结]我是一个初学者，请问如何进行激发态优化？谢谢 (2/682) lvjinru 2011-06-13 2011-07-01 08:55:37 by lvjinru
[Gamess/ ] [已完结]GAMESS输入文件求助 (8/2168) akikucoco 2011-06-25 2011-06-30 21:55:31 by beefly
[Gaussian] [已完结]谁用CIS算过激发态，请给我例子 (金币≥1)(1/52) kathy2008 2011-06-28 2011-06-30 20:01:48 by 锋线杀手
[量化图形 ] [已完结]请问这种图是用什么软件画的？ (1/774) luohubin 2011-06-09 2011-06-30 14:53:05 by pevil
[Gaussian] [已完结]新手求助：这个问题能不能用Gaussian处理 (4/856) PBHU 2011-06-29 2011-06-29 11:20:46 by PBHU
[Gaussian] [已完结]紧急求助，谁能帮我优化一个分子，关于氢键的    ( 1 2 ) (12/2345) bingdieduwu 2011-06-27 2011-06-29 08:40:19 by bingdieduwu
[Gaussian] [已完结]三个问题，b3lyp过渡态，nbo能量单位以及CCSD(T) (4/1614) 亍寞 2011-06-28 2011-06-29 06:38:37 by 亍寞
[其他] [已完结]求含氮杂环给体分子 (4/496) liuy062 2011-06-27 2011-06-29 03:40:37 by mchen10
[Gaussian] [已完结]求助文献一篇 (0/280) maomaotu9315 2011-06-28 2011-06-28 15:55:37 by maomaotu9315
[Gaussian] [已完结]gaussian 和gaussian view (金币≥1)(5/98) 20081130071 2011-06-26 2011-06-27 22:57:09 by 20081130071
[Gaussian] [已完结]GaussView-5.0 UV-Vis 光谱的单位是什么？ (1/858) tandz 2011-06-27 2011-06-27 22:03:00 by beefly
[Gaussian] [已完结]想求助一篇关于HF成分对于重组能计算准确性的影响的文章 (1/543) 冰bingice 2011-06-27 2011-06-27 10:16:52 by gyredli
[Gaussian] [已完结]错误L303求大家帮忙问题出在哪里，如何解决！ (0/429) realmanster 2011-06-27 2011-06-27 09:23:34 by realmanster
[Molpro/ ] [已完结]我想学学如何做旋规耦合 (3/1224) xiaosui1982 2011-05-07 2011-06-26 21:42:20 by m_luyan
[Gaussian] [已完结]linux下gaussian和gview的操作指南 (0/802) baldeagle109 2011-06-26 2011-06-26 10:14:17 by baldeagle109
[量化新手 ] [已完结]请教大家关于速率常数的计算问题 (0/992) efeyer 2011-06-20 2011-06-25 16:20:16 by efeyer
[Gamess/ ] [已完结]fragment molecilar orbital method 问题 (0/419) YJY1234 2011-06-22 2011-06-25 16:19:46 by YJY1234
[Molpro/ ] [已完结]请教Molpro中基组加弥散函数的问题 (0/876) major016 2011-06-17 2011-06-25 16:19:21 by major016
[Gaussian] [已完结]BSSE输入文件出现警告 (0/486) 小白如水 2011-06-25 2011-06-25 16:11:43 by 小白如水
[Gaussian] [已完结]帮俺做个优化吧，俺怎么老出错？ (1/273) polyhedral 2011-06-25 2011-06-25 12:23:57 by fatpig8832
[Gaussian] [已完结]能用高斯优化指定某个原子带电荷的离子么？ (9/3643) Swunlly 2011-04-27 2011-06-25 11:11:25 by yongleli
[Gaussian] [已完结]求助 Gaussian计算非谐性频率出错 (0/193) xixi1007 2011-06-25 2011-06-25 09:28:44 by xixi1007
[Gaussian] [已完结]用一台服务器计算需要Linda吗？ (4/764) zhongcm 2011-06-14 2011-06-24 17:56:03 by blueybz
[Gaussian] [已完结]关于gaussian计算分子Harmonic 与 Anharmonic frequency的请教？ (1/574) shuo2008 2011-06-23 2011-06-24 01:11:04 by zpppanda111
[量化新手 ] [已完结]关于ModRedundant coordinate (5/1689) llong 2011-05-09 2011-06-23 19:52:14 by 我的未来bsm
[Gaussian] [已完结]关于频率计算，求教 (0/316) rjhs 2011-06-23 2011-06-23 16:47:01 by rjhs
[Gaussian] [已完结]IRC计算没收敛 (9/1757) rock0927 2011-06-22 2011-06-23 16:12:45 by rock0927
[Gaussian] [已完结]求助gaussview3.09在linux下的安装文件 (1/385) baldeagle109 2011-06-23 2011-06-23 14:58:51 by 独孤狼
[Gaussian] [已完结]opt=TS 循环步骤问题 (7/2823) 亍寞 2011-06-23 2011-06-23 14:56:55 by 亍寞
[Gaussian] [已完结]求助diffusion functional 的含义 (6/674) bingdieduwu 2011-06-22 2011-06-23 12:39:57 by bingdieduwu
[Gaussian] [已完结]高斯错误代码是1804，这是什么原因啊？ (2/618) Captain-Jack 2011-06-21 2011-06-23 10:52:27 by Captain-Jack
[Gaussian] [已完结]高斯并行求助 (2/687) flowers123 2011-04-30 2011-06-23 10:29:15 by flowers123
[Gaussian] [已完结]Zindo 的 计算范围是 多大？第四周期能算吗 (1/371) vallen 2011-06-22 2011-06-22 21:50:09 by beefly
[Gaussian] [已完结]请问审稿人意见如何回答？ (7/1751) lorna639 2011-06-20 2011-06-22 19:18:46 by lorna639
[Gaussian] [已完结]gaussian03计算出的拉曼光谱数据怎么在orgin中作图？ (6/2548) iacwj03 2011-06-13 2011-06-22 10:56:45 by yhaih52
[其他] [已完结]charging free energies 是什么意思 (0/395) sunxy20002 2011-06-21 2011-06-21 17:31:04 by sunxy20002
[Gaussian] [已完结]求助用G98算一个结构的单点能 (8/1111) zln1987 2011-06-20 2011-06-21 16:34:37 by 独唱团
[其他] [已完结]不知发这里合适不？求富勒烯C82的isomer (5/1076) chenweiguang 2011-06-20 2011-06-21 15:26:01 by bay__gulf
[Gaussian] [已完结]如何用chk文件继续计算 (3/2128) herarysara 2011-06-20 2011-06-21 15:12:19 by herarysara
[Gaussian] [已完结]帮我计算下这两个分子的HOMO,HOMO+1，LUMO,LUMO+1吧，谢谢 (8/1619) yehuoo 2011-06-21 2011-06-21 13:27:11 by gmy1990
[Gaussian] [已完结][关贴]计算频率出错 (0/303) flash8407 2011-06-21 2011-06-21 09:40:23 by flash8407
[Gaussian] [已完结]高斯中的ONIOM是什么意思 (1/1674) hxtlc 2011-06-21 2011-06-21 09:38:45 by 独孤狼
[Gaussian] [已完结]高斯中每个振动的约化质量是如何计算出来的 (4/2829) liuyusuc 2011-06-18 2011-06-20 18:05:24 by liuyusuc
[Gaussian] [已完结]偶极矩向量M的对称性 (评阅+100) (7/942) gmy1990 2011-06-20 2011-06-20 16:08:11 by gmy1990
[Gaussian] [已完结]过渡态查找 (4/547) rulongxu 2011-06-20 2011-06-20 10:24:21 by 独孤狼
[Gaussian] [已完结]量化反应 (1/450) herarysara 2011-06-20 2011-06-20 10:19:58 by 独孤狼
[Gaussian] [已完结]怎么用高斯算激发态? (3/864) kekemi_1127 2011-06-14 2011-06-19 22:29:40 by kekemi_1127
[Gamess/ ] [已完结]gamess_运行unset echo怎么解决 (2/719) xiaowu787 2011-06-19 2011-06-19 21:33:33 by xiaowu787
[Gaussian] [已完结]求助Gaussian 03计算问题 (1/484) flyqzy 2011-06-19 2011-06-19 21:01:40 by 独孤狼
[ADF/Dal ] [已完结]求助：如何分析多原子分子间所形成的化学键（而不是分子轨道）的原子轨道成分 (1/536) lipeng87 2011-06-19 2011-06-19 21:00:33 by 独孤狼
[Gaussian] [已完结]过渡态计算出错 (5/1755) rock0927 2011-06-17 2011-06-19 12:01:35 by aimonkey
[量化新手 ] [已完结]求助谐振频率与非谐振频率 (1/873) shinee 2011-06-18 2011-06-18 18:18:12 by racoon01
[其他] [已完结]求一个解薛定谔方程的程序（有链接） (3/1359) wjwang123 2011-06-18 2011-06-18 17:49:01 by 761479235
[Gaussian] [已完结]TD优化激发态 (3/507) sjjnew101 2011-06-14 2011-06-17 23:57:43 by zhangmt
[Gaussian] [已完结]ONIOM的Error imposing constraints错误 (6/2035) cj4566 2011-06-16 2011-06-17 15:13:55 by 冬天里的骄阳
[Gaussian] [已完结]求Gaussian linux下过渡态搜索 输入文件例子 (4/1550) herarysara 2011-06-16 2011-06-17 14:49:07 by 独孤狼
[Gaussian] [已完结][关贴]环糊精与药物模拟 (6/1577) 天下枫叶 2011-05-29 2011-06-17 14:23:43 by 饭饭316
[NBO/AIM] [已完结]有cif晶格图，怎么用高斯或者AIM计算热力学函数额 (金币≥1)(1/60) wynli 2011-06-17 2011-06-17 14:12:44 by yongleli
[Gaussian] [已完结]激发态电荷分布 (1/707) 4010808 2011-06-17 2011-06-17 14:08:11 by yongleli
[Gaussian] [已完结]如何构建一个合理的C2v的结构 (金币≥1)(7/68) kathy2008 2011-06-17 2011-06-17 12:29:01 by kathy2008
[量化图形 ] [已完结]这种图（相互交叉的平面）用什么画 (4/1140) wjwang123 2011-06-16 2011-06-17 11:20:29 by xuhu_11
[Gaussian] [已完结]电离能相关文献 (0/461) lyy880530 2011-06-17 2011-06-17 11:01:38 by lyy880530
[Gaussian] [已完结]计算出现内存读取错误 (2/284) rock0927 2011-06-16 2011-06-16 22:16:36 by gmy1990
[Gamess/ ] [已完结]fragment molecilar orbital method 方法 (6/1668) YJY1234 2011-06-11 2011-06-16 14:43:44 by toyidi
[Gaussian] [已完结]谁能教我这个怎么用高斯计算？ (1/317) dxbddpc 2011-06-16 2011-06-16 13:48:44 by 独唱团
[Gaussian] [已完结]有关高斯计算中频率和零点能矫正因子的设置 (0/1959) jdztcxy 2011-06-13 2011-06-16 12:58:55 by jdztcxy
[Gaussian] [已完结]硝基苯中硝基对苯基的影响 (金币≥1)(1/28) kathy2008 2011-06-15 2011-06-15 21:29:13 by gmy1990
[Gaussian] [已完结]求助：五唑的生成热文献 (0/250) survivor9099 2011-06-15 2011-06-15 21:08:08 by survivor9099
[Gaussian] [已完结]CaO晶体优化L401错误Dimensions of /B2/ exceeded in AtP2B2. (1/1551) liyuanhe211 2011-05-26 2011-06-15 20:40:58 by 水清而深
[Gaussian] [已完结]轨道图中的正号和负号是怎么来的 (金币≥1)(1/53) kathy2008 2011-06-15 2011-06-15 20:05:16 by 独孤狼
[Gaussian] [已完结]linux下 如何在输入文件中 设置收敛条件 (3/655) herarysara 2011-06-14 2011-06-15 13:31:16 by yongma2008
[Gaussian] [已完结]兄弟们，谁知道Gaussian03中这几个词是什么意思啊 (8/2073) lilu1426 2011-06-14 2011-06-15 12:55:05 by zhangmt
[Gaussian] [已完结]求Gaussian ia64版的 (1/239) lilu1426 2011-06-15 2011-06-15 12:21:33 by 小红豆
[Gaussian] [已完结]结构优化中问题 (6/1901) charityqi 2011-06-10 2011-06-15 08:51:21 by manson1998
[Gaussian] [已完结][关贴]wiberg bond index 说明键的强弱 (5/2660) wcz2008 2011-06-13 2011-06-14 23:05:28 by tiechong
[Gaussian] [已完结]请问有人知道怎样计算配合物基态的氧化电势，急用！如果解决了再送50金币    ( 1 2 ) (11/1727) linyanglin 2011-06-10 2011-06-14 15:35:22 by linyanglin
[量化新手 ] [已完结]能算一个分子中某个键的HOMO,LUOMO么 (4/1011) conan3020 2011-06-13 2011-06-14 14:02:07 by conan3020
[Gaussian] [已完结]求linux下Gaussian 09的输入文件一个 (4/933) herarysara 2011-06-13 2011-06-14 09:22:33 by herarysara
[Gaussian] [已完结][关贴]求助Si9H12簇的gaussian03的软件的gif和log文件 (0/186) wsyfenglang 2011-06-14 2011-06-14 08:41:09 by wsyfenglang
[Gaussian] [已完结]gaussian09输入文件 (8/3056) herarysara 2011-06-13 2011-06-13 18:53:01 by kaegi
[Gaussian] [已完结][关贴]orbital phase(MO shape) (金币≥1)(0/28) kathy2008 2011-06-13 2011-06-13 14:36:29 by kathy2008
[Gaussian] [已完结]L9999 报错 (4/965) XYLF 2011-06-13 2011-06-13 13:20:02 by XYLF
[Gaussian] [已完结]分子结构优化 (8/2317) rock0927 2011-06-12 2011-06-13 12:30:34 by rock0927
[Gaussian] [已完结]EOMCCSD算激发态，能量为负值 (4/1464) 刘志凌 2011-06-12 2011-06-13 11:51:58 by beefly
[Gaussian] [已完结]请问ClO4-与BF4-这两个阴离子哪个的电荷离域程度更高？ (0/447) il701 2011-06-13 2011-06-13 10:18:45 by il701
[Gaussian] [已完结]gaussian09－linux－64安装问题 (7/1753) herarysara 2011-06-11 2011-06-13 10:04:18 by herarysara
[Gaussian] [已完结]本人新手 求助量化名词解释 (2/1448) 383639931 2011-06-12 2011-06-13 07:02:45 by 383639931
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