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    [热点] 国自然申请面上模板最新2026版出了吗？ lice_1987 2026-01-15 刚刚
    [量化图形 ] 【求助】linux下gv3.09的安装问题    ( 1 2 ) (12/916) 学员iHyUGB 2008-12-24 2008-12-25 17:17:30 by superfan
    [Gaussian] 【求助】优化好的TS跑ADMP总是L502出错 (2/313) xiaowandouer 2008-12-25 2008-12-25 15:48:27 by xiaowandouer
    [其他] 【建议】大家谁能建群，建一个群大家来交流问题吧 (2/112) minmin_0082003 2008-12-25 2008-12-25 15:39:52 by gwdavid
    [其他] 【求助】请问，什么软件可以做晶体和表面活性剂的相互作用，    ( 1 2 ) (评阅+1) (13/729) pollyan 2008-12-06 2008-12-25 14:53:30 by 天下为公5592
    [ChemOff ] 【求助】高斯优化后的构型怎么在chem3D中显示 (2/265) 瓶水之冰 2008-12-23 2008-12-25 12:38:38 by 瓶水之冰
    [量化图形 ] 【求助】哪位大侠有Gview 3.09啊，能上传分享下吗？ (2/209) zhangdi6802 2008-11-29 2008-12-25 10:22:34 by hzw83
    [Gaussian] 【求助】TD-DFT方法计算激发态结构 10 (评阅+2) (2/388) ducer001 2008-12-24 2008-12-25 10:21:26 by kite2005
    [Gaussian] 【求助】双核处理器在计算的时候怎么设置呢？ (3/267) skyerzj 2008-12-23 2008-12-25 00:07:09 by skyerzj
    [Gaussian] 【求助】关于电子自旋多重度和带电荷    ( 1 2 ) (10/1169) njuxyh 2008-12-13 2008-12-24 23:00:27 by njuxyh
    [Gaussian] 【求助】用Gaussian98输出文件算描述符出错 (3/365) tengqf 2008-11-29 2008-12-24 18:19:59 by quantumor
    [Gaussian] 【求助】关于单点能的计算有个问题请教？ (2/232) jrayty 2008-11-18 2008-12-24 18:14:26 by S07111072
    [其他] 【求助】构象分析方法 (1/135) gwdavid 2008-12-23 2008-12-24 16:23:06 by wuhanhgf2002
    [Gaussian] 关于纳米管计算中的oniom 方法 (评阅-2) (5/612) xiaoboy185 2008-04-10 2008-12-24 14:09:04 by xiaoboy185
    [Gaussian] 【求助】计算polar不收敛 (4/617) yuan888 2008-12-22 2008-12-24 14:03:51 by yuan888
    [Gaussian] 【求助】CPMD晶胞参数优化求教 (2/208) yongleli 2008-11-11 2008-12-24 10:33:42 by jjf_sxnu
    [Gaussian] 【求助】关于几何优化和频率分析结果中能量问题！ (2/288) sunkiller 2008-11-19 2008-12-24 10:18:12 by yyx19840628
    [Gaussian] 【求助】计算几个化合物的偶极矩！ 2 (1/182) chflea 2008-11-18 2008-12-24 10:18:06 by yyx19840628
    [Gaussian] [求助】 有关激发态计算的资料 (2/246) lixiaona158 2008-11-25 2008-12-24 10:16:34 by lixiaona158
    [Gaussian] 【求助】Onsager溶剂模型适用于TD模拟紫外吗 (1/137) njuctchem 2008-11-22 2008-12-24 10:16:08 by recoli
    [Gaussian] 【求助】如何同时设定两个校正因子（急需！谢谢） (0/84) lilingling 2008-11-21 2008-12-24 10:16:02 by lilingling
    [Gaussian] 【求助】请各位高手指点迷津！~~ (0/114) yutian2621 2008-11-21 2008-12-24 10:15:56 by yutian2621
    [Gaussian] [求助] 怎么做羧酸根质子化的过渡态？ 1 (0/135) spkeey 2008-11-29 2008-12-24 10:14:54 by spkeey
    [NBO/AIM] 求助：natural charge 的单位？ 2 (评阅-1) (1/152) sxguoch 2008-12-23 2008-12-24 08:44:18 by erylingjet
    [Gaussian] 【求助】坐标使用问题 在线亟待解决 3 (3/463) wanshidaji 2008-12-23 2008-12-23 22:41:09 by abbott
    [Gaussian] 【求助】如何分析HOMO-LUMO (7/1023) erylingjet 2008-12-20 2008-12-23 16:23:43 by sandf
    [Gaussian] 双核处理器在计算的时候怎么设置呢？ (评阅-2) (2/174) skyerzj 2008-12-23 2008-12-23 13:57:13 by madonion
    [Gaussian] 【求助】G03中有M06-2X方法吗？ (评阅+1) (5/1127) vallen 2008-12-22 2008-12-23 11:37:08 by vallen
    [Gaussian] 【求助】算一个80个原子的体系 算不下去。。怎么办? (评阅+1) (4/463) greatsea1212 2008-12-22 2008-12-23 10:23:09 by greatsea1212
    [其他] 【求助】可下载的amber (0/263) gwdavid 2008-12-23 2008-12-23 10:01:16 by gwdavid
    [Gaussian] 【求助】打开chk文件问题 (4/369) erylingjet 2008-12-20 2008-12-23 09:59:44 by erylingjet
    [其他] 【求助】有效的ftp资源 (评阅+1) (1/203) yyx19840628 2008-12-22 2008-12-23 09:42:18 by erylingjet
    [Gaussian] 【求助】过渡态收敛问题 3 (评阅+1) (2/227) dlstella 2008-12-22 2008-12-23 08:48:32 by yyy291
    [Gaussian] 【求助】CCSD(T)在优化的结构上计算频率出错. (评阅+1) (8/876) zchz26 2008-12-21 2008-12-22 17:01:42 by spkeey
    [其他] 【求助】写的一篇纯粹优化的文章该投哪个杂志比较好呢？ (评阅+2) (5/466) spkeey 2008-12-19 2008-12-22 16:42:57 by yyx19840628
    [其他] 【求助】'good solvent' in self-consistent field theory（取消求助） (4/341) jerryking 2008-12-13 2008-12-22 16:27:50 by jerryking
    [Gaussian] 【求助】pbe1pbe与pbepbe有什么区别呢 (评阅+2) (1/3074) minmin_0082003 2008-12-22 2008-12-22 13:19:31 by recoli
    [求助]《computer simulation of liquids》 ，这本书 (5/403) tpp001 2008-10-16 2008-12-22 13:16:41 by ahehyh
    [版务] 【讨论】圣诞节有没有活动安排？ (评阅+1) (0/65) yyx19840628 2008-12-22 2008-12-22 11:21:05 by yyx19840628
    [量化图形 ] 【求助】GVIEW红外光谱分析 (2/288) lcl211 2008-12-19 2008-12-20 21:17:56 by lcl211
    [Gaussian] 【求助】 NBO bond order 正负! (3/471) zhangji3013 2008-12-20 2008-12-20 20:24:49 by yyx19840628
    [Gaussian] 【求助】询问电脑配置 34 (5/469) jdlongbing 2008-12-19 2008-12-20 15:16:33 by jdlongbing
    [其他] 求助：各位有谁懂得CPK精确分子模型这个软件！ (评阅-2) (3/526) hywenyue 2008-12-20 2008-12-20 13:14:58 by yalefield
    [Gaussian] 【求助】吸附 (3/282) liulh 2008-12-20 2008-12-20 12:10:26 by yuan888
    [Gaussian] 【求助】在羟基上加H+后，能量上升200Kcal是怎么回事？ (评阅+1) (4/363) minmin_0082003 2008-12-17 2008-12-19 17:19:48 by angiu561
    [Gaussian] 【讨论】问一个gaussian模拟红外的问题 (6/557) linhuisnd 2008-11-15 2008-12-19 16:51:20 by lorna639
    [Gaussian] 【求助】linux 下,运行g03下的tests目录下的runtests出问题 (3/256) njuxyh 2008-12-16 2008-12-19 16:50:05 by superfan
    [Gaussian] [求助]如何使用完全均衡校正法消除BSSE (评阅+1) (3/414) linlin1011 2008-12-18 2008-12-19 15:54:16 by bents
    [Gaussian] 【求助】水溶液中计算问题 5 (评阅+2) (2/592) xingkai-xingkai 2008-12-19 2008-12-19 12:18:42 by spkeey
    [Gaussian] 【求助】GaussView的使用技巧方面的资料    ( 1 2 ) 5 (14/1071) sculhf 2008-10-29 2008-12-19 08:52:22 by yyx19840628
    [其他] 【求助】新手询问关于计算过渡态能量的问题 (6/482) wobushi512 2008-12-15 2008-12-19 01:47:55 by hbinjm
    [Gaussian] 【求助】G03中PBE0方法如何调用 (5/574) gongxd325 2008-12-18 2008-12-19 00:16:33 by beefly
    [Gaussian] 【求助】有知道NaY沸石一个晶胞有几个超笼吗？ 10 (2/168) 飘伶人 2008-12-17 2008-12-18 21:31:27 by spkeey
    [版务] 【有奖征集】分子模拟版"在线答疑帖"帖主征集 (评阅+8) (7/376) gwdavid 2008-12-03 2008-12-18 18:44:13 by yyx19840628
    [Gaussian] 【求助】急求各种氯酚的热焓实验值及出处 1 (评阅+2) (5/334) ccc13 2008-12-08 2008-12-18 18:43:04 by yyx19840628
    [量化图形 ] 【求助】ubuntu 8.04上安装gaussview出现错误，提示缺少libqwt_sc.so.0文件 (5/804) superfan 2008-12-02 2008-12-18 15:08:56 by superfan
    [Gaussian] 【求助】Mulliken电荷如何求 (9/1080) sxllgaoli898 2008-12-03 2008-12-18 14:49:34 by joy412
    [Gaussian] 【求助】优化完成之后如何查看键长？ (5/453) mengxianggao 2008-12-13 2008-12-18 12:58:54 by 金科院老鼠
    [Gaussian] 【求助】请用gaussian计算过光化学反应的指点一下 (6/481) linhuisnd 2008-12-17 2008-12-17 21:03:28 by wgpig
    [Gaussian] 【求助】有限场方法激发态偶极矩的计算 (1/187) zeit2000 2008-12-17 2008-12-17 18:53:07 by yyx19840628
    [Gaussian] 【求助】甲烷和氧气优化后 (3/324) ryuusonn 2008-12-17 2008-12-17 18:17:26 by yyx19840628
    [Gaussian] 【求助】氯酸钾和高氯酸钾分子结构 (2/183) 凌月逐烟 2008-12-17 2008-12-17 18:10:26 by yyx19840628
    [Gaussian] 【求助】TS不收敛怎么办？ (评阅+1) (1/149) minmin_0082003 2008-12-16 2008-12-17 10:37:58 by erylingjet
    [Gaussian] 【求助】频率优化后怎么在输出文件中找到优化后的分子结构？ (4/452) ryuusonn 2008-12-16 2008-12-17 08:52:03 by yuhuobuku
    [Gaussian] 【求助】计算出的活化能在什么范围可以常温反应？ (6/742) spkeey 2008-12-16 2008-12-17 08:33:54 by cysqxr
    [Gaussian] 【求助】onsager问题 5 (评阅+1) (2/189) sxllgaoli898 2008-12-16 2008-12-16 15:22:30 by sxllgaoli898
    [ADF/Dal ] ADF使用视频实例：乙醇分子的构型优化 (3/320) moueor 2008-11-26 2008-12-16 12:53:04 by zhang_217ly
    [Gaussian] 【求助】分子结构优化    ( 1 2 3 ) 5 (21/1163) li_yi_2004 2008-12-01 2008-12-16 12:30:35 by quantumor
    [Gaussian] 【求助】有关G03溶剂化 (9/606) gylai_ustc 2008-12-12 2008-12-16 10:39:19 by gylai_ustc
    [其他] [求助]请问分子模拟转计算方法学容易吗 (3/275) minmin_0082003 2008-12-15 2008-12-15 21:28:00 by wgpig
    [Gaussian] 【求助】高斯出错 (3/785) zhaideming 2008-12-15 2008-12-15 19:37:15 by zhaideming
    [Gaussian] 【求助】怎么建立.gif文件呢？右击不能建立啊？ (7/537) ryuusonn 2008-12-15 2008-12-15 18:42:42 by ryuusonn
    [其他] 【求助】NBO中两个词组的翻译 (评阅+1) (3/372) njuctchem 2008-12-14 2008-12-15 17:00:19 by yyx19840628
    [Gaussian] 【求助】IPCM问题    ( 1 2 ) (评阅+2) (11/580) sxllgaoli898 2008-12-13 2008-12-15 14:25:30 by sxllgaoli898
    [Gaussian] 【已解决】前线电子密度计算的问题 2 (评阅+2) (4/525) yjj_h2o 2008-12-14 2008-12-14 20:43:26 by erylingjet
    [Gaussian] 【求助】uccsdt方法的说明 (评阅+2) (3/224) sutaosutao 2008-12-14 2008-12-14 18:22:55 by qktscdx
    [量化图形 ] 【求助】gaussin view 背景色 (5/2728) iacwj03 2008-11-25 2008-12-14 17:52:15 by yyx19840628
    [Gaussian] Gaussian计算求助 (评阅-2) (4/441) Hewei 2008-12-13 2008-12-14 01:10:43 by recoli
    [量化图形 ] 【求助】哪位发个gview03的下载地址？ (评阅+1) (2/451) sunkiller 2008-12-11 2008-12-13 21:40:30 by lb1586551
    [Gaussian] 【求助】请问高手，在势能面扫描中发生的疑问 5 (3/316) yangyuhong 2008-12-13 2008-12-13 21:38:09 by lb1586551
    [Gaussian] 【交流】回zhanghh1984关于HOMO、LUMO问题    ( 1 2 ) (评阅+5) (12/2325) yuhuobuku 2008-12-10 2008-12-13 10:04:10 by yuhuobuku
    [Gaussian] [求助]请教个在溶剂中全优化的问题! (2/252) dlstella 2008-12-12 2008-12-13 06:07:56 by dolphin618
    [Gaussian] 【求助】如何给Ca原子在lanl2dz基组上添加弥散函数和极化函数 7 (评阅+1) (2/313) xuxiuhong2002 2008-12-11 2008-12-12 21:25:08 by jghe
    [Gaussian] ［求助］请看我的这个运算语法正确吗？ (8/609) tritiger 2008-12-11 2008-12-12 20:15:23 by erylingjet
    [Gaussian] 【求助】急！急！激发态优化出错    ( 1 2 ) 5 (10/843) lixiaona158 2008-12-12 2008-12-12 17:58:48 by yyx19840628
    [Gaussian] 【求助】加溶剂效应后，相应的势垒增大了怎么解释？ 1 (9/844) vallen 2008-12-09 2008-12-12 15:22:45 by vallen
    [版务] 答疑顾问（应助）专贴 (1/88) csfn 2008-12-03 2008-12-12 12:53:03 by yyx19840628
    [Gaussian] 【求助】Gaussian什么命令可以分析轨道成分 (评阅+1) (4/926) freshgirl 2008-12-10 2008-12-12 12:43:59 by yyx19840628
    [Gaussian] [求助]如何用高斯算反应的吉布斯自由能变 (6/1011) flyinsky878 2008-12-10 2008-12-12 12:27:50 by minisun
    [Gaussian] 【求助】如何冻结一个很大分子的一部分 2 (评阅+1) (5/939) 小~可 2008-12-10 2008-12-12 08:52:20 by lixiaona158
    [Gaussian] 【求助】加溶剂效应的结构 优化L301出错 (评阅+1) (6/654) tiancj 2008-12-11 2008-12-11 22:18:25 by tiancj
    [Gaussian] 【求助】CCDC晶体数据导入gaussian计算 (评阅-1) (6/1321) littlemei 2008-12-05 2008-12-11 20:51:03 by littlemei
    [Gaussian] 求助 SAC-CI的中文说明 (1/223) pdsyao 2008-12-09 2008-12-11 19:42:09 by wzslg
    [Gaussian] 【已解决】chemoffice下用高斯计算对硫磷,HOMO，LUMO的问题 (4/574) yjj_h2o 2008-12-05 2008-12-11 19:34:50 by majun04
    [Gaussian] 【求助】一个文件中的多个分子结构如何逐个显示？ (5/628) gongxd325 2008-12-10 2008-12-11 10:22:27 by gongxd325
    [Gaussian] 【求助】C47H36 2 (评阅+1) (4/483) lcrkjls 2008-12-10 2008-12-11 00:40:42 by beefly
    [Gaussian] 【求助】如何看轨道的能量值 (4/632) zhanghh1984 2008-12-10 2008-12-10 13:04:34 by zhanghh1984
    [ADF/Dal ] 【求助】关于ADF的输入例子文件（30金币相送） 11 (评阅+2) (3/687) hairan 2008-11-25 2008-12-10 12:19:27 by lihb734
    [Gaussian] 【求助】初学gauss，计算出现一个错误，请教是什么问题。 (评阅+1) (6/920) youzics 2008-12-10 2008-12-10 11:33:15 by yyx19840628
    [Gaussian] 【求助】出现 last link died, let link 999. 到底是怎么一回事    ( 1 2 3 ) (22/1688) cooltokill 2008-03-09 2008-12-10 11:11:10 by cooltokill
    [Gaussian] 【求助】请教一个高斯常见错误 (6/423) yuhuobuku 2008-12-09 2008-12-10 10:42:05 by yuhuobuku
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