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    [热点] 参与限项 6小太阳6 2026-01-15 刚刚
    [Gaussian] [求助]用高斯03（gaussian03)在国内中文期刊发文章，没有专利权，危险大不大？ (6/1512) longer163 2008-06-29 2008-06-30 13:22:05 by madonion
    [Gaussian] 【求助】关于红外振动频率的计算 (5/538) majun04 2008-06-28 2008-06-30 08:15:32 by majun04
    [Gaussian] [求助]g03优化后多个虚频可以消除吗？ (7/844) chenfuzi 2008-06-25 2008-06-30 02:04:42 by zhangsky8812
    [Gaussian] [求助]这样的轨道电子云图是怎么画出来的 (1/308) tracy_wangrui 2008-06-29 2008-06-29 16:58:25 by tangsw911
    [Gaussian] [求助]CIS优化激发态时出错 (4/373) tracy_wangrui 2008-06-06 2008-06-29 15:43:56 by tracy_wangrui
    [Gaussian] 【求助】linux装不上Gaussview (评阅-2) (0/121) jove1782 2008-06-29 2008-06-29 10:18:44 by jove1782
    [Gaussian] Visual fortran (评阅-2) (1/196) 忘尘天空 2008-06-27 2008-06-29 10:14:10 by jove1782
    [求助]DLPOLY高手帮一下忙，谢谢（0.5金币） (3/627) jingyybuaa 2008-04-29 2008-06-29 08:41:46 by shzhu
    [Gaussian] 【求助】nbo 5.0 的使用    ( 1 2 ) (13/1149) 虚谦 2008-05-31 2008-06-28 22:37:49 by 虚谦
    【讨论】各位虫子说说自己的模拟方向和机器配置吧!    ( 1 2 ) (16/1001) windtalker168 2008-03-24 2008-06-28 14:22:22 by seahow
    [Gaussian] 请问如何在gaussianview中画一个咪唑环阳离子的结构？ (评阅-2) (1/962) il701 2008-06-28 2008-06-28 11:21:22 by wanshidaji
    [求助]如何对gromacs中的OPLS力场参数进行修改 (6/1727) suny2005 2008-06-25 2008-06-28 08:49:25 by suny2005
    [Gaussian] 【求助】如何计算两个跃迁轨道的电子密度差？ (评阅-2) (2/188) peace1127 2008-06-27 2008-06-27 21:39:33 by qktscdx
    ［求助］linux下如何安装grace 求高手指点 (评阅-2) (2/350) cloudsea163 2008-06-27 2008-06-27 21:32:02 by cloudsea163
    【求助】Fedora下安装InsightII的困惑！    ( 1 2 ) (11/555) gwdavid 2008-05-08 2008-06-27 19:55:31 by gwdavid
    [Gaussian] 【求助】两个二价镍的多重度是多少？ (7/831) jissrain 2008-06-24 2008-06-27 17:24:16 by xjian2046
    [Gaussian] 【求助】请问高斯如何计算分子的极化率？ (6/1373) lifei_dut 2008-06-24 2008-06-27 15:50:41 by niwatoli
    [Gaussian] [讨论]GaussionView3.07起动时的两个报错???? (评阅-2) (2/124) dols80 2008-06-27 2008-06-27 15:08:50 by tsihu
    [Gaussian] 【求助】真诚期待虫友---解答计算投稿问题 (1/167) wanshidaji 2008-06-26 2008-06-26 22:19:51 by beefly
    [Gaussian] [求助]NBO计算错误 (3/611) suny2005 2008-06-26 2008-06-26 22:05:38 by suny2005
    [Gaussian] [求助]喹啉环用GVIEW 如何画啊？ (3/274) abin21 2008-06-26 2008-06-26 15:23:11 by herosmzd
    [Gaussian] [求助]如何加入对称性 1 (4/304) ducer001 2008-06-26 2008-06-26 13:49:04 by tsihu
    【求助】Morse参数中的Be (0/99) txf8378 2008-06-26 2008-06-26 10:01:29 by txf8378
    【求助】哪位虫友有关于分子模拟项目申请的标书？想看看！谢谢 5 (2/227) jlp315 2008-06-24 2008-06-26 09:25:44 by wgpig
    【转贴】大分子蛋白质模拟：Amber, Gromacs和NAMD之我见 (评阅+2) (9/2100) linxi1454 2008-06-18 2008-06-26 08:26:05 by 素婕求学
    [Gaussian] 【求助】怎样能够求出静电力，色散力和诱导力 5 (2/466) chyy82 2008-06-23 2008-06-26 07:00:08 by spring965
    [求助]单点能的计算问题！！ (0/130) 自由港口 2008-06-25 2008-06-25 19:03:28 by 自由港口
    [Gaussian] 【求助】gjf文件在linux下的转换？ (2/147) jonemo 2008-06-25 2008-06-25 14:41:37 by jonemo
    [Gaussian] 【求助】高斯3错误1602.exe (2/188) jissrain 2008-06-25 2008-06-25 14:20:49 by jissrain
    [Gaussian] Gaussian03出问题 5 (4/211) szhuyong1983 2008-06-24 2008-06-25 13:25:36 by jove1782
    [Gaussian] 【求助】键级如何计算 (6/746) spring965 2008-06-22 2008-06-25 12:16:33 by spring965
    [Gaussian] 【求助】 计算所得发射光谱比实验室偏小怎么回事？ 1 (4/238) lixiaona158 2008-06-24 2008-06-25 09:48:37 by lixiaona158
    [Gaussian] 【求助】如何将高斯结构优化后的分子转变成三维图像 (6/774) zhangdi6802 2008-06-18 2008-06-25 00:17:44 by 北京一叶567
    【求助】ATK使用说明 (0/161) mirage181 2008-06-24 2008-06-24 21:41:41 by mirage181
    [Gaussian] 【求助】gaussian中怎么找电子态 (2/192) maoyt77 2008-06-24 2008-06-24 20:08:02 by jghe
    [Gaussian] [求助] 关于轨道能量的组成    ( 1 2 ) (11/1007) herosmzd 2008-03-05 2008-06-24 13:24:28 by liuyn286
    [Gaussian] 请问gaussian能不能算出原子光谱啊？ (2/166) zbb1223 2008-06-23 2008-06-24 10:05:45 by zbb1223
    [Gaussian] [求助] 分子轨道的对称性怎么看? (3/615) tracy_wangrui 2008-06-23 2008-06-24 09:39:27 by tracy_wangrui
    [Gaussian] ［求助］请问这样的分子截图是用什么软件做的 5 (9/492) tutu2000 2008-06-22 2008-06-23 16:20:59 by tsihu
    一个不错的分子模拟论坛 (评阅+1) (2/523) redream811225 2008-06-21 2008-06-23 10:17:10 by lei0736
    [Gaussian] [求助]关于高斯输出结果的分析问题 (5/478) lcl211 2008-06-20 2008-06-22 09:27:09 by lcl211
    [Gaussian] 【求助】静电势计算 (9/1344) spring965 2008-06-20 2008-06-21 17:52:56 by wxjbuilder
    [Gaussian] [求助]静电势怎么算？ (3/426) arandy 2008-05-22 2008-06-21 00:05:03 by 北京一叶567
    [Gaussian] 【求助】现在做溶剂化，那个模型比较主流啊？ (2/209) masterbug 2008-06-20 2008-06-20 23:38:59 by zhangsky8812
    [Gaussian] （求助）关于反应能垒与反应速率之间的关系 (评阅-2) (2/1799) jilinjohn 2008-06-20 2008-06-20 21:29:39 by wxjbuilder
    [求助] 利用分子动力学方法可计算体系的黏度吗? (6/587) ustbmars 2008-06-19 2008-06-20 16:31:32 by ustbmars
    [Gaussian] [求助]你们遇到过这样的问题吗？ (0/91) ghzhong 2008-06-20 2008-06-20 15:33:46 by ghzhong
    [Gaussian] 【求助】二阶超级化率取值 5 (2/150) tangsw911 2008-06-17 2008-06-20 12:36:06 by sandf
    [Gaussian] 【求助】Gaussian计算[NiCl_6]_2-络离子的跃迁光谱问题 (0/129) zbb1223 2008-06-20 2008-06-20 11:30:52 by zbb1223
    [Gaussian] 【求助】高斯软件可以解决环境影响吗？ (2/188) zhangdi6802 2008-06-20 2008-06-20 04:11:53 by zhangsky8812
    [Gaussian] 【求助】过渡态寻找卡壳了：（无限郁闷 (1/200) doublefeng 2008-06-18 2008-06-19 19:57:10 by xiaxue_121
    [Gaussian] [求助] 如何在gs优化中加电场　 (6/432) huahua1981 2008-06-13 2008-06-19 18:29:05 by wxjbuilder
    [Gaussian] [求助]请问在SBKJC基组中包含相对论效应吗？ (2/112) hufeng 2008-06-19 2008-06-19 11:42:57 by hufeng
    [Gaussian] [求助]过渡金属离子与生物大分子 (8/557) lanyumei 2008-06-16 2008-06-19 10:32:18 by lanyumei
    [Gaussian] 【求助】怎样构建带有自由基的初始构型 (3/307) ppshanshanqiu 2008-06-15 2008-06-19 09:44:36 by hairan
    Energetics of Protein Structur(ADVANCES IN PROTEIN CHEMISTRY VOL--47) (5/290) acdmail1 2008-06-17 2008-06-19 08:48:34 by tdanti
    [Gaussian] [求助]请问DFT/6-311++(D,P)的频率校正因子是多少 (0/177) masterbug 2008-06-19 2008-06-19 08:22:43 by masterbug
    [Gaussian] 【求助】分子内氢键的计算 (1/278) zhangdi6802 2008-06-18 2008-06-19 04:10:24 by zhangsky8812
    [求助]帮忙谁有dlploy的中文简介 (1/165) jingyybuaa 2008-05-27 2008-06-18 20:43:17 by cuicui882
    【求助】关于结合自由能。 (4/574) lifei_dut 2008-06-03 2008-06-18 17:26:59 by qlzhang
    【求助】hyperchem中怎么计算fukui指数 5 (0/126) tymnj 2008-06-18 2008-06-18 16:04:06 by tymnj
    [Gaussian] 【求助】Freq=Hindered-Rotor (3/429) zhangrobber 2008-06-17 2008-06-18 15:42:12 by wxjbuilder
    [Gaussian] 【求助】如何从计算结果看分子轨道 (5/636) ppshanshanqiu 2008-06-15 2008-06-18 11:10:03 by ferlich
    [Gaussian] [求助] naturalorbital? natural bond orbitals? (1/491) Roseshu 2008-06-18 2008-06-18 09:54:06 by yalefield
    [Gaussian] [求助]新手请教：如何用Gaussian计算氢键键能？ (1/248) emily66 2008-06-16 2008-06-18 08:48:40 by emily66
    [Gaussian] 【讨论】欢迎用过ONIOM的都来跟帖 (2/173) lanyumei 2008-06-17 2008-06-17 21:54:06 by xjian2046
    【讨论】【已解决】gromacs中计算两分子之间的距离变化的问题 (5/707) zhlrui 2008-06-15 2008-06-17 21:33:03 by zhlrui
    [Gaussian] 今天开始学习高斯o(∩_∩)o...初学者一起来进步    ( 1 2 ) (17/920) csfn 2008-06-13 2008-06-17 17:47:31 by csfn
    [Gaussian] [求助]：Gaussian 运算中link died重新运算 (7/1103) yuguotianqing 2008-05-25 2008-06-17 14:58:05 by 皓儿165
    [Gaussian] 【求助】计算频率与实验比偏差太大 (6/425) jdshiying 2008-06-12 2008-06-17 12:51:39 by zhangsky8812
    [求助]如何获得分子的动力学直径 1 (2/270) cup_lee 2008-06-12 2008-06-17 11:04:50 by duyuhai
    [Gaussian] [求助]轨道问题 (3/263) wjxu_59 2008-06-16 2008-06-17 09:24:13 by hairan
    [Gaussian] 【求助】gaussian极化率单位问题 (2/357) tangsw911 2008-06-16 2008-06-17 07:47:04 by tangsw911
    [Gaussian] [求助]新手请教：如何得到分子的三维静电势图 (6/782) emily66 2008-06-14 2008-06-17 07:43:46 by emily66
    [Gaussian] 【求助】计算能否继续？ (9/622) 虚谦 2008-06-12 2008-06-17 00:10:02 by ferlich
    [Gaussian] [求助】计算完频率之后，如何从结果中得到对应某个键的频率值 (0/95) lixiaona158 2008-06-16 2008-06-16 21:04:05 by lixiaona158
    [Gaussian] 求助 1 (评阅-2) (1/102) andyyu666 2008-06-16 2008-06-16 13:36:45 by andyyu666
    [Gaussian] 【求助】如何计算分子的还原能力，和氧化还原可逆性？（电化学） (0/116) jove1782 2008-06-16 2008-06-16 12:40:57 by jove1782
    [求助]关于原子类型的问题 (1/127) gwdavid 2008-06-13 2008-06-15 21:35:22 by shenjjjj
    [Gaussian] 【求助】运算结果老出错 (8/545) 皓儿165 2008-06-13 2008-06-15 21:20:10 by 皓儿165
    [Gaussian] [求助] linux系统中运算出错 (9/419) 皓儿165 2008-06-11 2008-06-15 21:12:33 by 皓儿165
    [Gaussian] [求助]    ( 1 2 ) (10/613) txf8378 2008-06-13 2008-06-15 21:00:49 by hairan
    [Gaussian] [求助]用高斯可以对某个激发态态进行优化吗? (5/940) tracy_wangrui 2008-06-12 2008-06-15 18:13:28 by ppshanshanqiu
    [求助]结晶得到不同空间群，如何分析？ (0/231) ems 2008-06-15 2008-06-15 11:46:44 by ems
    【求助】Hyperchem的使用方法 (8/1074) likaifeng 2008-01-11 2008-06-14 13:31:10 by libugou
    [求助]构象搜索中可旋转键数目的设置 (0/125) libugou 2008-06-14 2008-06-14 13:21:46 by libugou
    【求助】径向分布函数的计算 5 (1/244) gamma337 2008-06-14 2008-06-14 12:46:54 by zyy816
    Chemoinformatics (10/642) childsliu 2008-06-02 2008-06-14 10:14:29 by yuanchang
    accelrys公司ds视频教程下载 (12/294) zuoyinglin 2008-05-24 2008-06-14 10:00:00 by yuanchang
    [求助]关于处理金属蛋白酶（MMPs）ACE中的Zn (4/354) gwdavid 2008-06-13 2008-06-14 09:43:49 by weishenme
    【求助】Cu-In EAM势？ 3 (4/431) gamma337 2008-05-31 2008-06-14 08:25:32 by lei0736
    【求助】NAMD加随时间变化力的问题 (0/104) maad 2008-06-13 2008-06-13 13:07:07 by maad
    [Gaussian] 求助：高斯的非正常结束问题 (3/276) sllmnls 2008-06-11 2008-06-13 10:27:37 by sllmnls
    [Gaussian] [求助]新手请教：ONIOM方法和QM/MM是一回事吗？ (4/619) emily66 2008-06-12 2008-06-13 07:32:27 by emily66
    【求助】用hyperchem给蛋白质分子加上一个periodic box (1/113) veralee01 2008-06-06 2008-06-12 21:38:08 by shenjjjj
    【求助】新手求助Autodock (8/1184) wangliyun 2008-06-02 2008-06-12 21:25:00 by xingu
    【求助】QSAR问题紧急求助高人 (3/378) 0342402 2008-06-11 2008-06-12 21:03:46 by shenjjjj
    [Gaussian] [求助]高斯计算出错 (4/379) lcl211 2008-06-11 2008-06-12 12:59:53 by zzgyb
    [Gaussian] 【求助】如何得到chk文件？ 1 (5/575) qktscdx 2008-06-11 2008-06-12 09:24:36 by qktscdx
    [Gaussian] [求助]寻找过渡态出了问题 (0/211) jrayty 2008-06-12 2008-06-12 08:44:16 by jrayty
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