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    [热点] 纳米粒子粒径的测量 枝上柳绵吹又少 2026-01-15 刚刚
    求助：10金币求autodock4软件下载 10 (评阅-12) (3/285) 吴桂叶 2008-11-09 2008-11-13 11:35:37 by 吴桂叶
    非平衡分子动力学的经典教材——Statistical mechanism of nonequilibrium liquids (17/1248) multiscale 2008-06-12 2008-11-13 11:00:57 by icemantoby
    [Gaussian] 求助：卟啉分子 2 (6/276) 282060290 2008-11-12 2008-11-12 21:09:15 by yytsnake
    [Gaussian] 【求助】高斯做分子动力学的输入文件 2 (2/178) 2150308 2008-11-12 2008-11-12 20:38:33 by jyki
    【求助】光棍节里光棍求助! 看在光棍节的面子上帮帮我吧 (2/120) dolphin100 2008-11-11 2008-11-12 20:12:12 by dolphin100
    [Gaussian] L1002 error (2/231) bents 2008-10-23 2008-11-12 14:48:43 by greatsea1212
    求助：薄膜生长的计算机模拟原程序 (2/230) zenglingjun123 2008-10-14 2008-11-12 13:53:36 by zenglingjun123
    [Gaussian] Gaussian 讲座 (12/519) flyover08 2008-10-16 2008-11-12 11:23:10 by rcliutao
    [Gaussian] [求助]高斯计算频率出错问题 (2/244) lcl211 2008-11-10 2008-11-12 09:00:40 by nxf_2008
    [Gaussian] 【求助】L9999错误 （急，在线等）    ( 1 2 ) (10/1113) sxllgaoli898 2008-08-23 2008-11-12 08:30:20 by yyy291
    [Gaussian] 【求助】最高占有轨道的电子数 (1/158) zhangdi6802 2008-11-11 2008-11-11 21:06:11 by dongyuhui
    [Gaussian] 【求助】如何用Gaussian计算葡萄糖单体其羟基的氧原子和氢原子的前线轨道系数 (3/445) Hansongtao 2008-11-07 2008-11-11 20:01:54 by smc1966082
    [Gaussian] 【求助】计算溶剂效应时出现的问题 (7/614) sxllgaoli898 2008-07-22 2008-11-11 15:14:20 by ccc13
    [Gaussian] 求助：NMR计算结果要减掉的那个基础值是什么？ (评阅-2) (2/202) xiguatailan 2008-11-07 2008-11-11 14:14:36 by lsgan
    [求助]问下insightII序列格式应该是怎样的？ (4/219) foradun 2008-11-07 2008-11-11 13:06:44 by foradun
    [求助]菜问题，insightII的psv格式。 (2/129) foradun 2008-11-11 2008-11-11 12:57:42 by foradun
    [Gaussian] 【求助】过渡态计算 (金币≥10)(3/137) majun04 2008-11-10 2008-11-11 11:14:08 by majun04
    [Gaussian] 【求助】优化计算出错 (3/298) xieqingsky 2008-11-11 2008-11-11 10:43:45 by 张文艳
    [Gaussian] 【求助】请问如何用Gaussian计算分子结构参数？ (7/790) xingyun5182 2008-11-10 2008-11-11 09:46:59 by snoopyzhao
    [Gaussian] 【求助】L9999不收敛的错误 4 (4/619) ccc13 2008-11-10 2008-11-11 08:59:16 by ccc13
    [Gaussian] 【求助】在liunx下安装高斯 (4/501) huahua1981 2008-11-10 2008-11-10 20:48:54 by bay__gulf
    [Gaussian] 两个单体形成结合物的能量问题 (2/130) xiaokeaini83 2008-10-24 2008-11-10 18:37:27 by xiaokeaini83
    [量化图形 ] [求助]gaussview中分子距离问题 (1/132) xiaoli5005 2008-11-06 2008-11-10 17:06:35 by 张文艳
    [Gaussian] 用什么软件可以把高斯模拟的数据转化成紫外光电子谱？（急！） (评阅-2) (8/540) gonghf07 2008-11-04 2008-11-10 15:45:13 by 466902981
    [Gaussian] 【求助】怎么样找反应过渡态 (5/589) sunlong650 2008-11-10 2008-11-10 15:07:26 by cysqxr
    [Gaussian] 【求助】关于计算得到的能量值 (3/205) proton00 2008-11-02 2008-11-10 13:10:40 by fineren
    [Gaussian] [求助]分子间氢键结构最低能量怎么计算？ (4/789) 神童熙熙 2008-11-07 2008-11-10 13:01:21 by 神童熙熙
    [Gaussian] 【求助】高斯输出里面能找到电子亲和势吗？ (1/164) gonghf07 2008-11-07 2008-11-10 10:12:53 by 张文艳
    [Gaussian] 求助：mp2的频率分析问题 (评阅-2) (4/276) thegreenworld 2008-10-31 2008-11-10 10:06:51 by 张文艳
    [Gaussian] 【求助】输入文件是怎么了呀? (1/131) 半支烟5591 2008-11-09 2008-11-10 10:02:13 by 张文艳
    [Gaussian] 【求助】高斯优化模型 (8/525) jallent 2008-11-06 2008-11-10 08:22:28 by jallent
    [Gaussian] [求助]gaussian出错 (1/204) hbnuwangshuling 2008-11-09 2008-11-10 00:22:38 by beefly
    [Gaussian] 【求助】AIM2000的使用说明！！！ 5 (2/270) 张文艳 2008-11-06 2008-11-09 19:57:17 by lb1586551
    [Gaussian] 【求助】在高斯中怎样设置温度和压力 (1/198) penghcp 2008-11-08 2008-11-08 15:59:57 by yuan888
    [Gaussian] 【求助】irc死掉的原因？ (2/196) sunlong650 2008-11-06 2008-11-08 06:56:57 by neweroica
    [Gaussian] [求助]PBC请教 (2/138) huangyc 2008-11-07 2008-11-07 20:15:09 by jghe
    [Gaussian] 【求助】G03中关键字Gen和Genecp的区别 (7/2335) tengqf 2008-10-29 2008-11-07 18:32:46 by hyliu0618
    [Gaussian] 【求助】超分子模型与PCM模型有什么差异 1 (1/226) 小~可 2008-11-02 2008-11-06 19:25:40 by lei0736
    分子模拟——陈正隆 (+3) (4/458) newlgt 2008-10-23 2008-11-06 16:20:36 by guosy1999
    [Gaussian] 关于freqmem    ( 1 2 3 ) (评阅-2) (20/889) yuan888 2008-11-04 2008-11-06 14:16:15 by yuan888
    [Gaussian] freqmem的用法 1 (2/346) yuan888 2008-11-06 2008-11-06 14:12:11 by yuan888
    博士三年能出生物计算模拟方面的5篇SCI?    ( 1 2 ) (11/803) dolphin100 2008-11-01 2008-11-06 12:53:06 by bcheng
    [Gaussian] 【求助】关于做荧光所需的内存 (0/112) nxf_2008 2008-11-06 2008-11-06 10:46:51 by nxf_2008
    [Gaussian] [求助]AIM软件！！ (8/474) 张文艳 2008-10-31 2008-11-06 07:44:13 by snoopyzhao
    [Gaussian] 分子轨道二维能量图用什么软件画出来啊？ 3 (评阅-2) (2/154) nwwolfchj 2008-11-05 2008-11-06 02:46:10 by yongleli
    [Gaussian] 【求助】新手问:Gaussian系列软件有哪些？ (1/147) Hansongtao 2008-11-05 2008-11-05 20:33:04 by quantum999
    [Gaussian] 【求助】如何在Windows下几个任务依次自动算啊 (4/178) jjf0616 2008-11-05 2008-11-05 20:18:17 by dongyuhui
    [求助]关于Tersoff势 (2/245) JkCgr 2008-05-01 2008-11-05 16:14:34 by linlin1011
    【求助】分子动力学入门程序 (2/237) yidiandian2703 2008-11-02 2008-11-05 15:00:09 by yidiandian2703
    【求助】丙胺团簇构型 10 (0/93) gamma337 2008-11-05 2008-11-05 08:32:23 by gamma337
    动力学经典书籍-1 (评阅+3) (4/438) yanhekib 2008-11-01 2008-11-05 07:13:25 by 奇迹3825
    08年新书"Multiscale Simulation Methods for Nanomaterials-Wiley" (34/1374) soaringhawk 2008-09-18 2008-11-05 02:53:01 by dellus
    [Gaussian] 【求助】请教Gaussian高手 10 (4/737) dendrimer899 2008-10-30 2008-11-04 20:21:58 by jghe
    [Gaussian] 【求助】IRC 分析死掉的原因？ (2/138) sunlong650 2008-11-04 2008-11-04 18:19:19 by hyliu0618
    [Gaussian] 生成焓的计算 (评阅-2) (3/760) 皓儿165 2008-11-02 2008-11-04 15:08:24 by 皓儿165
    [Gaussian] 【求助】gaussian价格 (4/428) quantum999 2008-11-04 2008-11-04 14:45:07 by moueor
    [Gaussian] 【求助】求教：为什么无法运行啊？（我是新虫） (6/851) Tom_LXD 2008-10-26 2008-11-03 11:21:24 by s044154lyg
    【求助】做过蛋白质同源模建的兄弟姐妹请进来 (6/419) yi_63 2008-09-14 2008-11-03 10:04:45 by 77747759
    【求助】amber动力学 (2/186) wuhanhgf2002 2008-04-18 2008-11-03 10:02:16 by zz422
    [Gaussian] 【求助】各位谁有GaussSum, 恳请传一个 3 (4/393) xiaogang06 2008-10-30 2008-11-03 00:41:02 by hbinjm
    [Gaussian] 【求助】TD计算中峰强相差很大，怎么办 (7/395) ppshanshanqiu 2008-11-02 2008-11-02 22:21:59 by beefly
    [Gaussian] 【求助】g03版本问题 (3/332) 学员v1REDw 2008-11-02 2008-11-02 20:16:05 by 豆豆3327
    [Gaussian] 【求助】linix和windows下高斯输入文件有什么不同? (4/393) hyliu0618 2008-11-02 2008-11-02 16:36:51 by suntao1982
    [Gaussian] 过氧化氢的结构的优化问题 2 (评阅-2) (8/643) yuan888 2008-11-01 2008-11-02 09:12:04 by yuan888
    [Gaussian] 【求助】怎样用高斯计算团簇的紫外光电子谱 (3/341) gonghf07 2008-10-29 2008-11-01 20:18:28 by gonghf07
    [Gaussian] 【求助】怎样用高斯计算分子的结合能和电子亲和能？ (3/983) gonghf07 2008-10-29 2008-11-01 19:54:21 by gonghf07
    [Gaussian] [求助]如何用高斯求分子电离能和电子亲和能 (3/558) yunfan951 2008-02-27 2008-11-01 19:51:06 by gonghf07
    分子模拟与高分子材料 (9/870) xyz007 2008-07-07 2008-11-01 19:19:09 by payne
    [Gaussian] 【求助】Gaussian BSSE L502 出错 (2/273) spkeey 2008-10-31 2008-11-01 16:47:12 by spkeey
    [Gaussian] 【求助】核与核，核与电子，电子与电子的能量 (2/105) xieqingsky 2008-10-31 2008-11-01 14:10:25 by xieqingsky
    [Gaussian] [求助]BSSE L402 错误 5 (1/239) spkeey 2008-10-29 2008-10-31 20:48:00 by spkeey
    [Gaussian] 【求助】Gaussian L502 出错 1 (5/1324) jghe 2008-03-25 2008-10-31 20:39:50 by spkeey
    [Gaussian] [求助]优化结果中的如何写波函数？ (1/121) hbnuwangshuling 2008-10-29 2008-10-31 19:33:04 by hbnuwangshuling
    [Gaussian] (请教）TDDFT计算意外终止，怎么重新开始？ (3/328) xiaogang06 2008-10-31 2008-10-31 13:40:32 by xiaogang06
    [Gaussian] ［求助］这句话有什么问题吗? 3 (8/476) handongxue1011 2008-10-30 2008-10-31 10:05:33 by yyx19840628
    请教：关于分子结构模拟 (评阅-2) (5/324) cocogol 2008-10-30 2008-10-31 09:31:12 by cocogol
    [Gaussian] 【求助】怎么确定分子键参数？？？急！！ (6/441) pollyan 2008-10-30 2008-10-31 09:29:43 by 张文艳
    [Gaussian] 请教如何加入对称性 (4/340) mengxianggao 2008-10-31 2008-10-31 09:18:17 by 张文艳
    [Gaussian] 键级与Milluken电荷集居数不符 4 (3/423) ouyang223 2008-10-30 2008-10-31 02:28:24 by neweroica
    [Gaussian] ［求助］大家看看我的程序哪错了呀    ( 1 2 ) 1 (10/456) handongxue1011 2008-10-29 2008-10-30 19:12:49 by handongxue1011
    [Gaussian] 【求助】稀土配合物优化 (5/372) YYTDD1124 2008-10-28 2008-10-30 19:10:51 by lllswy
    [Gaussian] [求助]高斯里面的临时文件满了 (金币≥10)(4/116) yyx19840628 2008-10-27 2008-10-30 19:08:40 by lllswy
    [Gaussian] 【求助】：请高手指点gaussian运行中出现的问题 1 (8/272) chen213xuan 2008-10-30 2008-10-30 15:16:00 by chen213xuan
    [Gaussian] 【紧急求助】对过渡族金属氨基氢化物的结构优化 10 (5/448) lhlaocao 2008-10-28 2008-10-30 10:24:48 by quantum999
    Insight II 2005 在RHEL5.0 client很容易死机 (6/428) xttide 2008-10-29 2008-10-30 08:58:08 by gwdavid
    [Gaussian] 【求助]TD-DFT计算中地能级的三重态垂直激发波长很大，什么原因 (3/405) ppshanshanqiu 2008-10-28 2008-10-29 21:39:49 by gonghf07
    【求助】径向分布函数 (9/1164) gamma337 2008-05-21 2008-10-29 21:19:35 by chirs8406
    【求助】有没有用DL-POLY做模拟计算的 (2/161) Rwl12345 2008-10-19 2008-10-29 21:16:06 by chirs8406
    [Gaussian] 一个疑惑请教一下大家 (2/249) 皓儿165 2008-10-29 2008-10-29 16:00:59 by 皓儿165
    [Gaussian] 【求助】找反应过渡态 (2/170) sunlong650 2008-10-29 2008-10-29 15:22:47 by sunlong650
    [Gaussian] 请教画图 5 (4/341) whongj 2008-10-24 2008-10-29 14:42:28 by whongj
    [求助]insightII中的分子模拟时cutoff是什么条件？ (6/385) lvyanniwin 2008-10-17 2008-10-29 13:58:04 by chuan0752
    【求助】膜蛋白如何在膜两侧加水 (1/214) zhlrui 2008-10-28 2008-10-29 10:50:39 by shaoqingfly
    [Gaussian] 【求助】CPU后面的数字什么意思？ (1/208) abbott 2008-10-29 2008-10-29 10:27:32 by niliu
    [Gaussian] [求助]gaussian计算时波函数如何写出？ (1/103) hbnuwangshuling 2008-10-29 2008-10-29 10:20:52 by hbnuwangshuling
    [Gaussian] 【求助】电子-核吸引能、电子电子推斥能的计算 (2/113) xieqingsky 2008-10-28 2008-10-29 09:31:22 by xieqingsky
    [Gaussian] [求助】 如何使用open-shell 的b3lyp 优化激发态几何？    ( 1 2 3 ) (27/1012) lixiaona158 2008-10-21 2008-10-29 08:53:16 by quantum999
    [Gaussian] [求助]请人给俺这个菜鸟详细介绍一下Z矩阵的二面角问题 (2/216) Jldbaobei 2008-10-24 2008-10-28 22:46:42 by zgzhang
    [Gaussian] ［求助］IRC出错[已解决] 8 (金币≥1000)(5/64) tutu2000 2008-10-27 2008-10-28 16:48:28 by sunlong650
    [Gaussian] 【求助】优化过程中结构出错 (5/503) tengqf 2008-10-27 2008-10-28 11:17:58 by tengqf
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