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    [热点] 27年申博自荐-能源/环境方向 挹泪的过客 2026-10-26 刚刚
    [Gaussian] 【求助】优化的步长设置变大以后,是否能缩短优化的时间 (6/1549) yhl213 2009-06-18 2009-06-19 10:20:33 by Jasminer
    [其他] 【讨论】关于分子直径的书 (0/174) dadashu2 2009-06-19 2009-06-19 09:52:58 by dadashu2
    [NBO/AIM] 【求助】NBO分析中的alpha和beta对应的数据怎么分析 (评阅+2) (3/516) samanthafeng 2009-06-10 2009-06-19 07:16:31 by samanthafeng
    [Gaussian] 【求助】优化计算的结果如何转为单点能计算的输入文件? (4/494) Hansongtao 2009-06-18 2009-06-18 19:57:48 by yytsnake
    [Gaussian] 【求助】新手求助高斯几何优化的问题    ( 1 2 ) (13/1058) huabangou 2009-06-17 2009-06-18 19:10:23 by hairan
    [Gaussian] 【求助】键级问题 (6/452) nanasj 2009-06-18 2009-06-18 18:27:59 by yjcmwgk
    [Gaussian] 【求助】消除震荡 (4/1103) 3867826 2009-06-18 2009-06-18 17:04:42 by S07111072
    【求助】gaussian优化到一半死机了怎么办? (3/815) 250260882 2009-06-12 2009-06-18 16:58:44 by bingyi3
    [Gaussian] 【求助】我的高斯文件为什么不运行啊(几何优化,频率和能量)    ( 1 2 ) (12/2158) oyljw 2009-06-13 2009-06-18 16:16:32 by oyljw
    [Gaussian] 【求助】有个概念没明白    ( 1 2 ) (13/1588) 皓儿165 2009-06-08 2009-06-18 15:20:44 by 皓儿165
    [Gaussian] 【求助】急问:gaussian计算断电后的处理 (7/1646) quppy 2009-06-16 2009-06-18 14:18:03 by yjcmwgk
    [Gaussian] 【求助】机组的问题 (4/916) zhaideming 2009-06-17 2009-06-18 14:13:13 by yjcmwgk
    [Gaussian] 【求助】H2的势能面扫描,谁能给我个输入文件 (1/526) 紫色雅典娜 2009-06-17 2009-06-18 14:11:26 by yjcmwgk
    [NBO/AIM] 【求助】nbo bond order计算的问题 (6/788) dolphin618 2009-06-17 2009-06-18 14:09:38 by yjcmwgk
    [Gaussian] 【原创】GaussianL9999中断后或停电后,继续计算 (评阅+8) (3/2009) greenrose_2 2009-06-17 2009-06-18 14:08:01 by yjcmwgk
    [Gaussian] 【求助】为什么没有PDB viewer按钮? (1/143) Hansongtao 2009-06-18 2009-06-18 13:50:32 by yjcmwgk
    [量化图形 ] 【求助】如何用*.LOG文件来画分子轨道图? (7/475) dols80 2009-04-23 2009-06-18 13:32:22 by yjcmwgk
    [Gaussian] 【求助】40金币求助电子组态的问题 (8/1594) yjcmwgk 2009-06-16 2009-06-18 11:39:16 by gaochao85
    [Gaussian] 【求助】有并行版的gusssian03W的软件吗?50金币赠送 (9/1070) minmin_0082003 2009-06-02 2009-06-17 22:20:31 by samtyty
    [其他] 【求助】请教电子效应的问题 6 (2/476) flyskysky 2009-06-13 2009-06-17 21:30:40 by c111999
    [Gaussian] 【求助】请问轨道对称性 (9/1505) yuxuan1976 2009-06-13 2009-06-17 16:28:52 by yuxuan1976
    [Gaussian] 【求助】高斯离子势的分析 2 (评阅-2) (5/445) weixp2008 2009-06-16 2009-06-17 15:25:34 by xiaohui8882
    [Gaussian] 【求助】高斯离子势 6 (0/186) weixp2008 2009-06-17 2009-06-17 14:41:53 by weixp2008
    [Gamess/ ] 【求助】请问一个关于模拟化学键长的问题 (5/551) liuwanshuang 2009-06-16 2009-06-17 11:19:46 by 347383257
    [Gaussian] 【求助】自旋多重度设置错了对结果有什么影响 (8/1683) yhl213 2009-06-16 2009-06-17 11:14:19 by 347383257
    [其他] 【分享】推荐一个不错的论坛(分子模拟论坛) (4/1379) xiguatailan 2009-06-16 2009-06-17 09:37:53 by xiguatailan
    [其他] 【求助】哪位虫虫使用过JOELib,请留个脚印 (1/133) qiaoqiao3686 2009-06-16 2009-06-17 09:09:01 by qiaoqiao3686
    [其他] 【求助】分子尺寸计算求助! (3/837) kingsong 2009-06-04 2009-06-17 05:38:51 by c111999
    [Semi-em ] 【求助】NDDO,PM3的参考文献在哪里能找到? (0/202) tiechong 2009-06-17 2009-06-17 03:22:15 by tiechong
    [Gaussian] 【求助】TD出错 (1/164) nanasj 2009-06-16 2009-06-17 00:12:13 by c111999
    【求助】求助【Gaussian】 (2/190) syl6692 2009-06-15 2009-06-16 16:19:21 by szmeng
    [Gaussian] 【求助】求 GaussianView4 (4/499) 学员5dMass 2009-06-16 2009-06-16 15:40:50 by huihuijing6303
    [Gaussian] 【求助】如何提高扫描时的计算速度 (5/447) yhl213 2009-06-13 2009-06-16 15:22:24 by yhl213
    [Gaussian] 【求助】如何将计算的振动结果保存    ( 1 2 ) (13/1292) xuyawen3893 2009-06-13 2009-06-16 11:31:23 by gaochao85
    [Gaussian] 【求助】WHY输出文件没有electrostatic energy? (4/444) kgwang112 2009-06-15 2009-06-16 10:05:30 by kgwang112
    [其他] 【求助】如何模拟大共轭环上的pi 电子 (2/199) tiechong 2009-06-16 2009-06-16 09:12:30 by neweroica
    [Gaussian] 【求助】关于算TD (2/498) nanasj 2009-06-16 2009-06-16 08:57:05 by nanasj
    [Gaussian] 【求助】linux下gaussian计算内存%mem设置问题 (3/1224) zzhenry 2009-06-15 2009-06-15 22:44:28 by zzhenry
    [Gaussian] 【求助】急!帮忙选下基组 2 (5/707) 皓儿165 2009-06-15 2009-06-15 22:10:39 by Jasminer
    [量化新手 ] 【转帖】您入门模拟时选择或者将要选择的是哪本书? (5/673) erylingjet 2009-06-15 2009-06-15 17:07:29 by bay__gulf
    [Gaussian] 【求助】【求助】高斯里自旋多重态的设置 (4/699) lcl211 2009-06-14 2009-06-15 10:28:39 by tiechong
    [其他] 【分享】不错的分子模拟网站 (评阅+1) (4/573) lijingl 2009-05-30 2009-06-15 10:21:36 by xuyawen3893
    [ChemOff ] 【求助】【求助】chem3D中怎么看分子轨道    ( 1 2 ) (11/1978) xiguatailan 2009-06-13 2009-06-15 09:33:22 by niliu
    [Gaussian] 【求助】三阶非线性光学系数 5 (2/348) nanasj 2009-06-14 2009-06-15 08:16:16 by nanasj
    [Gaussian] 【求助】g03计算吸附能问题 (2/301) pllyf2006 2009-06-03 2009-06-14 21:40:34 by pllyf2006
    [Gaussian] 【分享】gaussian09 发布 (0/383) suntao1982 2009-06-14 2009-06-14 21:12:58 by suntao1982
    [Gaussian] 【求助】G3(MP2)-RAD中的RAD是什么意思? 3 (0/236) wfchem 2009-06-14 2009-06-14 21:11:42 by wfchem
    [版务] [关贴]【分享】jghe转任本区顾问(跟帖100金币发放中。。。。)    ( 1 2 3 4 5 6 ) (评阅+2) (54/2121) csfn 2009-06-07 2009-06-14 17:44:07 by zypyys
    [Gaussian] 【求助】如何模拟非晶体(玻璃)的反应过程或表面能 (0/113) xuyawen3893 2009-06-14 2009-06-14 14:38:18 by xuyawen3893
    【交流】Gromacs群 (评阅+1) (6/1344) xuefei06 2008-12-25 2009-06-13 21:46:22 by lei0736
    [新手求助]gaussian03优化问题 (4/778) parallel 2008-01-15 2009-06-13 21:41:04 by parallel
    [求助]gaussian 找不到文件 (4/917) sunny_sky681 2008-03-10 2009-06-13 21:37:33 by jove1782
    【求助】用B3LYP优化负离子的时候有何特殊处理?    ( 1 2 ) (19/2533) xiafuting 2008-03-10 2009-06-13 21:37:13 by 红枫叶688
    【讨论】大家讨论一下动力学软件的优缺点 (评阅+1) (3/596) lxmn 2009-01-08 2009-06-13 21:20:42 by lei0736
    [Gaussian] [专家] 【求助】请教个关于三线态的问题 (7/1359) jiewei 2009-06-12 2009-06-13 19:19:42 by erylingjet
    [其他] 【求助】谁能分享一下tripos Muse软件 (0/340) popelrain 2009-06-13 2009-06-13 13:25:32 by popelrain
    [Gaussian] 【讨论】在水中计算,出现UA0错误 (0/250) chhjj 2009-06-13 2009-06-13 11:11:28 by chhjj
    [Gaussian] 【求助】请教关于重叠布局(overlap populations)的问题 (2/494) Ado 2009-06-11 2009-06-13 10:52:28 by Ado
    [Gaussian] 【求助】多氧分子体系计算自旋多重度的选择 (3/619) yiyayi 2009-06-12 2009-06-13 08:55:12 by csfn
    [Gaussian] 【求助】溶液计算的输入文件 (4/424) kgwang112 2009-06-11 2009-06-13 08:16:01 by kgwang112
    [Gaussian] 【求助】如何找到甲醛的前线轨道系数 (2/434) Hansongtao 2009-06-12 2009-06-13 07:47:15 by zhou2009
    [Gaussian] 【求助】配合物自旋多重度设置问题!    ( 1 2 ) (10/1147) 虚谦 2009-06-03 2009-06-12 20:54:55 by 虚谦
    [量化图形 ] 【求助】GV显示不了输出文件的分子构型? (6/611) samanthafeng 2009-06-12 2009-06-12 19:45:39 by chhjj
    [Gaussian] 【求助】请教大家:计算铜配合物用什么基组? (8/1936) YYTDD1124 2009-06-10 2009-06-12 19:28:51 by bylin
    [Gaussian] 【求助】请问高斯结果分析 (7/841) yuxuan1976 2009-06-10 2009-06-12 19:27:52 by yuxuan1976
    [Gaussian] 【求助】单点能计算得到的分子轨道部分的A、B代表什么意思? (3/872) Hansongtao 2009-06-12 2009-06-12 17:27:38 by hairan
    [Gaussian] 【求助】带电荷分子优化完成后有虚频 (7/1344) erylingjet 2009-06-10 2009-06-12 17:25:32 by dummy1
    [Gaussian] [专家] 【求助】请问一个高斯输入文件的问题 (1/205) jiewei 2009-06-12 2009-06-12 16:49:32 by yhl213
    [Gaussian] 【求助】过渡态优化出现“Opt=TS requires force constants or ModRedundant”是什么� (2/710) railic 2009-06-11 2009-06-12 16:15:10 by pllyf2006
    [Gaussian] 【求助】【求助】怎么处理开壳层单线态? 3 (0/295) xiguatailan 2009-06-12 2009-06-12 16:14:35 by xiguatailan
    [Gaussian] 【求助】优化出错 (3/1714) onion007 2009-06-10 2009-06-12 13:38:26 by yjcmwgk
    [Gaussian] 【求助】哪位大虫能帮忙,问题还未解决... (8/937) sunjiawen 2009-06-08 2009-06-12 10:51:31 by yjcmwgk
    [Gaussian] 【求助】有个问题,请教了 (2/568) 王中学 2009-06-12 2009-06-12 10:36:51 by liuqiancheng
    [Gaussian] 【求助】在gaussian03频率计算加温度和压强后,计算出错 (6/802) lcl211 2009-06-10 2009-06-12 10:21:32 by lcl211
    [Gaussian] 频率计算 (9/935) onion007 2009-06-09 2009-06-12 10:20:18 by sunq393
    [Gaussian] 【求助】下面葡萄糖计算结果中如何如何找出羟基(OH)氢原子和氧原子的前沿轨道系数? (1/248) Hansongtao 2009-06-12 2009-06-12 09:44:00 by Jasminer
    [Gaussian] 【求助】[求助]高斯IPCM溶剂场下计算单点能不收敛    ( 1 2 ) 2 (10/945) xiguatailan 2009-06-04 2009-06-12 09:24:48 by xiguatailan
    [Gaussian] 【求助】用高斯构建団簇模型 (5/566) liuqiancheng 2009-06-08 2009-06-12 08:12:43 by piaoma
    [Molpro/ ] 【分享】求助 (2/284) 66jia66 2009-06-11 2009-06-12 07:40:09 by sukhoiking
    [其他] 【讨论】通知贴--~~~~计算模拟区系列活动有奖调查 (0/183) fegg7502 2009-06-11 2009-06-11 23:49:35 by fegg7502
    [Gaussian] 【求助】[求助]分子动力学模拟(BOMD)出错问题    ( 1 2 ) (15/1467) sophy8069 2009-06-03 2009-06-11 21:12:05 by wanglijuan66
    [Gaussian] 【求助】问一 下算第一激发态一般需要多大内存 (9/1554) nxf_2008 2009-06-09 2009-06-11 18:28:54 by nxf_2008
    [Gaussian] 【求助】怎么样计算磁化率 (0/154) YYTDD1124 2009-06-11 2009-06-11 15:59:51 by YYTDD1124
    [HyperCh ] 【求助】HyperChem建LiFePO4的model (6/905) skfire 2009-06-10 2009-06-11 10:46:08 by skfire
    [Gaussian] 【求助】请问分子中各键的键能可否通过高斯计算,如何计算    ( 1 2 ) (评阅+1) (11/1587) yjj_h2o 2009-01-10 2009-06-10 20:32:55 by ferlich
    [其他] 【求助】weight是什么?怎么算? (2/667) ems 2008-07-30 2009-06-10 15:01:06 by snowrine
    [Gaussian] 【求助】alpha轨道和beta轨道的是什么意思 (4/2693) yhl213 2009-06-10 2009-06-10 12:31:07 by zlding
    [其他] 【求助】Materials Studio无法Minimizer (0/173) John.Frankie 2009-06-10 2009-06-10 10:37:04 by John.Frankie
    [Gaussian] 【求助】10金币求gaussian03 liunx 10 (7/650) 王中学 2009-06-05 2009-06-10 09:37:51 by czyzsu
    [Gaussian] 【求助】能用高斯分析导电性吗 (6/1035) 水月慧心 2009-06-04 2009-06-10 08:40:03 by 水月慧心
    [Gaussian] 【求助】Fock formation (0/92) onion007 2009-06-10 2009-06-10 07:50:39 by onion007
    [其他] 【求助】异喹啉胺类化合物,异喹啉3位的CH在中性体系中可以和靶蛋白形成氢键相互作用� (1/168) 奇贝儿 2009-06-09 2009-06-09 22:58:29 by gwdavid
    [Gaussian] 【求助】三阶非线性光学系数的虚部怎么计算 (3/699) nanasj 2009-06-08 2009-06-09 21:20:52 by nanasj
    [Gaussian] 【求助】用gaussian 算速率常数 (1/426) chuchu6816 2009-06-09 2009-06-09 20:25:37 by gongxd325
    [Gaussian] 【求助】G03求助 1 (5/660) weixp2008 2009-06-09 2009-06-09 20:07:16 by jghe
    [Gaussian] 【求助】linux下gaussian输入文件问题    ( 1 2 ) (18/2012) zzhenry 2009-05-31 2009-06-09 19:06:20 by penghcp
    [Gaussian] 【求助】菜鸟发帖关于gaussian软件的下载合使用 (1/656) cheng95504 2009-06-09 2009-06-09 15:09:59 by cheng95504
    [Gaussian] 【求助】如何运行swizard软件? (3/724) gonghf07 2009-04-20 2009-06-09 09:59:32 by nxf_2008
    [Gaussian] 【求助】高斯编程 (5/1137) nzj87 2009-06-08 2009-06-09 09:14:09 by yjcmwgk
    [Gaussian] 【讨论】分子的局域优化与全局优化的探讨(欢迎大家讨论) (8/744) sculhf 2009-06-06 2009-06-09 08:59:37 by chuchu6816
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