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    [热点] Applied Homogeneous Catalysis: A Tool for Sustainable Chemistry - 2nd Edition asymmsyn 2026-01-15 刚刚
    [Gaussian] [求助]再问关于批处理的问题 (3/178) fspdlh 2008-12-08 2008-12-10 08:45:58 by fspdlh
    [Gaussian] 【交流】]还是关于过渡态的问题 4 (2/211) hyliu0618 2008-12-09 2008-12-10 08:35:33 by dolphin618
    [Gaussian] [求助]gaussian电场输入 (6/828) hbnuwangshuling 2008-12-04 2008-12-10 08:17:49 by yuan888
    [Gaussian] 【求助】有关tddft的一个问题 (评阅+1) (3/324) tiancj 2008-12-09 2008-12-09 22:07:37 by tiancj
    [Gaussian] 做opt时出错,请高人指点 (评阅-1) (4/596) xianyuan 2008-12-09 2008-12-09 21:39:51 by jjf_sxnu
    [Gaussian] [求助]swizard软件作图    ( 1 2 ) 1 (11/941) huilaoshu999 2008-07-03 2008-12-09 21:36:12 by tiancj
    [Gaussian] 【求助】 机组的问题 (1/119) zhaideming 2008-12-09 2008-12-09 21:34:55 by jjf_sxnu
    [Gaussian] 【求助】怎样通过高斯得到物质的标准摩尔焓,有金币相谢 (9/1227) njuctchem 2008-12-09 2008-12-09 19:11:29 by njuctchem
    [Gaussian] 【求助】对计算高温高压频率的例题很不解 (0/109) 36du 2008-12-09 2008-12-09 18:50:10 by 36du
    [ChemOff ] 【求助】请问在高斯计算后的结构在CHEM3D里查看的情况 (2/230) xiaokeaini83 2008-12-09 2008-12-09 18:40:16 by xiaokeaini83
    [量化图形 ] 【求助】如何利用GaussianView的cube文件画HOMO和LUMO (6/935) freshgirl 2008-12-04 2008-12-09 18:03:40 by freshgirl
    纯金属模拟新手请教建模问题,期待您指点 (评阅-2) (0/71) cctvdiancom 2008-12-09 2008-12-09 17:39:16 by cctvdiancom
    [Gaussian] [求助]在高斯里用radii=UAHF模型算溶剂效应 1 (5/509) vallen 2008-12-08 2008-12-09 17:04:36 by vallen
    [Gaussian] 【求助】Gaussian VC版与其他班有何差别 (2/174) jove1782 2008-12-09 2008-12-09 16:51:30 by yyx19840628
    [Gaussian] [求助]IRC出错 (1/199) jingyybuaa 2008-12-08 2008-12-09 08:45:26 by yyy291
    [Gaussian] 【求助】基态稳定点的虚频问题 (5/287) zchz26 2008-12-08 2008-12-09 08:42:59 by yyy291
    [其他] 请教关于利用MS-Dmol3计算SOMO的问题 (评阅-2) (0/177) quietwx 2008-12-08 2008-12-08 22:18:06 by quietwx
    [其他] [求助]谁能找到winmopac的中文手册 (0/247) shyman128 2008-12-08 2008-12-08 21:25:24 by shyman128
    [Gaussian] 【讨论】高斯里面可以模拟酸碱的溶剂效应吗 (3/361) yyx19840628 2008-12-06 2008-12-08 21:25:03 by yyx19840628
    [Gaussian] 【求助】配位聚合物结构优化 (2/188) xuanyuanjie 2008-12-08 2008-12-08 21:01:51 by yyx19840628
    [Gaussian] [求助]关于所谓的stabilization energy (5/398) tsihu 2008-12-05 2008-12-08 18:11:41 by tsihu
    [Gaussian] 晕···高斯计算又出问题了 (评阅-1) (2/227) yangheng8052 2008-12-08 2008-12-08 17:14:17 by jjf_sxnu
    [Gaussian] 【求助】opt出新的错误(L716),菜虫再来来请教。 (4/965) 36du 2008-12-04 2008-12-08 10:45:37 by 36du
    [其他] 简单刚体自由运动迭代方程 (评阅+1) (3/273) ipe226 2008-12-06 2008-12-08 10:38:56 by ipe226
    [Gaussian] 【求助】opt=z-matrix表示什么意思 2 (6/1073) 小~可 2008-12-04 2008-12-08 10:25:50 by 小~可
    [其他] 【求助】有做DIRAC的吗? (8/516) wanmingjie 2008-12-04 2008-12-08 09:40:36 by wanmingjie
    [Gaussian] 【求助】如何利用TDDFT方法优化激发态结构 3 (7/843) nongchaoer1852 2008-12-02 2008-12-08 09:35:22 by yyx19840628
    [Gaussian] 【求助】高斯计算紫外光谱 (4/725) zhanghejuan 2008-12-05 2008-12-08 09:35:01 by zhanghejuan
    [Gaussian] [求助]求一篇文献,顺便请教如何使用高斯计算分子的静电势 (3/541) ghcacj 2008-09-04 2008-12-08 09:19:49 by zhanghejuan
    [Gaussian] 【求助】混合基组输入格式 (4/502) pdsyao 2008-12-07 2008-12-08 08:57:08 by pdsyao
    [Gaussian] 【求助】单晶优化后为啥会断键 (6/418) syydr2008 2008-12-04 2008-12-07 22:07:38 by syydr2008
    [Gaussian] 【求助】如何用gaussian中的TDF计算单晶的单点能量 5 (9/911) syydr2008 2008-12-04 2008-12-07 22:04:09 by syydr2008
    [Gaussian] 【求助】谁有 elsevier 的Chemical Physics的 word 模版?? 9 (评阅+1) (1/236) spkeey 2008-12-07 2008-12-07 19:12:16 by yyx19840628
    [Gaussian] 【求助】求助计算 (3/583) liuyanzhu_79 2008-12-05 2008-12-07 10:11:24 by liuyanzhu_79
    [Gaussian] 求能后处理Gaussian结果的势能分布程序-归属振动程序? 5 (评阅-2) (2/192) nwwolfchj 2008-12-03 2008-12-06 18:41:44 by yyx19840628
    [Gaussian] 【求助】关于优化过渡态的问题 5 (4/439) hyliu0618 2008-12-06 2008-12-06 18:26:47 by yyx19840628
    【求助】autodock 可以处理水吗? 1 (3/368) pxqtea 2008-12-05 2008-12-06 17:51:19 by yyx19840628
    [Gaussian] 【求助】间二甲苯的的介电常数是多少啊? (1/170) jrayty 2008-12-05 2008-12-06 12:02:39 by piaoma
    [其他] 【求助】明明装了纳米机器人,不好下载。 (6/420) yyx19840628 2008-12-01 2008-12-06 10:53:24 by pollyan
    [Gaussian] [求助] 算相互作用得到正数怎么讨论呢?排斥? 1 (4/271) spkeey 2008-12-04 2008-12-05 22:10:49 by spkeey
    [Gaussian] 【求助】QST2计算方法,restart计算失败,怎么回事? 2 (9/697) majun04 2008-12-04 2008-12-05 22:07:21 by spkeey
    [Gaussian] 【求助】请教一个高斯常见问题 (评阅+1) (5/448) yuhuobuku 2008-12-05 2008-12-05 14:37:21 by yyx19840628
    [Gaussian] 【求助】关于gaussian量化计算的问题?有效日期至2009年1月30日 (5/524) xiaochun8790 2008-12-02 2008-12-05 09:47:36 by cysqxr
    [Gaussian] 【求助】这样的TD结果怎么解释? (2/214) xiaogang06 2008-11-21 2008-12-05 09:39:19 by xiaogang06
    [其他] 【求助】dmol3的出错 (0/129) yyx19840628 2008-12-05 2008-12-05 08:31:17 by yyx19840628
    [Gaussian] 求助!急急!哪位帮忙测个谱图啊 万分感谢~ (7/427) 乱七八糟猪 2008-12-03 2008-12-05 00:16:23 by 乱七八糟猪
    【求助】 gaussian 计算频率 (4/555) xianyuan 2008-11-30 2008-12-04 21:01:47 by jghe
    [Gaussian] 【求助】高斯计算中的问题    ( 1 2 ) 1 (10/836) yangheng8052 2008-12-03 2008-12-04 19:54:28 by spkeey
    [Gaussian] 【求助】为什么优化不出想要的构型 (6/458) 36du 2008-12-03 2008-12-04 19:52:47 by spkeey
    [量化图形 ] 【求助】如何用GaussianView打开UNIX Gaussian产生的.chk文件 (4/745) freshgirl 2008-12-04 2008-12-04 19:50:25 by spkeey
    [Gaussian] 【求助】关于gaussian量化计算的问题?有效日期至2009年1月30日 (8/869) xiaochun8790 2008-12-03 2008-12-04 19:38:39 by spkeey
    [Gaussian] 【求助】虚心求教高斯问题 (2/331) yangheng8052 2008-12-04 2008-12-04 19:26:46 by yangheng8052
    [Gaussian] 【求助】关于优化不收敛的问题. (2/225) zchz26 2008-12-04 2008-12-04 17:53:51 by S07111072
    [Gaussian] 【求助】我的gaussian 怎么了? (5/377) tritiger 2008-12-04 2008-12-04 17:52:39 by yyx19840628
    [量化图形 ] 我新虫问问高斯和高斯VIEW哪个先装啊谢谢 (3/441) dongyuhui 2008-12-04 2008-12-04 15:13:58 by pllyf2006
    [Gaussian] 【求助】请教什么是MembStruk方法? (2/143) gwdavid 2008-11-30 2008-12-04 13:43:23 by 天空空
    [其他] 有关MD软件 (评阅-2) (3/528) jutun 2008-11-25 2008-12-03 23:06:27 by xuefei06
    [Gaussian] 【求助】PBEO优化结果出错 5 (3/468) nongchaoer1852 2008-12-03 2008-12-03 21:50:07 by yyx19840628
    高斯程序可以计算些什么? 1 (1/140) hwgzw 2008-12-03 2008-12-03 21:46:17 by GrasaVampiro
    [Gaussian] 【求助】请教大侠指点在哪可以下载到gaussian view软件,谢谢!!    ( 1 2 3 ) (25/2269) hanbao 2008-03-27 2008-12-03 19:58:05 by syydr2008
    [Gaussian] Berny optimization.最后到这个地方,跟死掉了似的。大家谁见过这个错误吗? (4/1302) tiancj 2008-12-03 2008-12-03 19:05:28 by tiancj
    [Gaussian] 【求助】理论的偶极距与极性的关系 (7/677) 36du 2008-11-28 2008-12-03 17:03:39 by 466902981
    [Gaussian] 【求助】有没有人用高斯做核磁和溶剂效应 (3/527) yyx19840628 2008-12-02 2008-12-03 14:38:13 by zzgyb
    [Gaussian] 【求助】有人能解释一下局部优化吗? 1 (7/1119) cysqxr 2008-09-28 2008-12-03 14:17:37 by xuefei06
    [其他] 求助:Alchemy 2000下载 (0/216) zhangyatao 2008-12-03 2008-12-03 12:59:55 by zhangyatao
    [Gaussian] 【求助】急,急 请教Gaussina算溶剂化能的报错的问题! 10 (4/461) niuhaotao 2008-12-02 2008-12-03 10:33:16 by niuhaotao
    [Gaussian] [求助]我的IRC为什么跑不起来 5 (6/486) handongxue1011 2008-12-02 2008-12-03 08:45:42 by yyy291
    [Gaussian] 【已解决】chemoffice下用高斯计算HOMO,LUMO的问题 (3/636) yjj_h2o 2008-11-29 2008-12-02 21:30:31 by yjj_h2o
    [Gaussian] 【求助】在一个单机上运行两个相同版本高斯    ( 1 2 ) (10/1003) erylingjet 2008-12-01 2008-12-02 20:47:07 by czyzsu
    [Gaussian] 【求助】高手帮忙估算运算时间 (6/623) penghcp 2008-11-30 2008-12-02 16:51:51 by lzhtou
    [Gaussian] [求助]高斯安装问题!!!!!!!!!!!!! (金币≥5)(5/160) akikucoco 2008-11-28 2008-12-02 14:29:52 by akikucoco
    [Gaussian] 【求助】ccsdt和b3lyp能量差很多 (3/482) flyinsky878 2008-12-02 2008-12-02 12:03:34 by beefly
    [Gaussian] 【求助】请问用什么软件可以画Gaussian输出的氢键啊? (4/474) 466902981 2008-11-28 2008-12-02 11:19:48 by 466902981
    [Gaussian] 【求助】如何看gv不能显示的点 (2/119) flyinsky878 2008-12-01 2008-12-02 10:55:03 by dolphin618
    [Gaussian] 【求助】计算频率Link Died (2/182) liuchong8235 2008-12-02 2008-12-02 10:41:03 by yyx19840628
    [Gaussian] 【求助】在模拟HOMO-LUMO轨道时如果结构中存在孤对电子该如何处理? (评阅+1) (2/249) xjuwshi 2008-12-01 2008-12-02 10:29:52 by xjuwshi
    [Gaussian] 【求助】gaussian基组问题 (1/236) suny2005 2008-12-01 2008-12-02 09:28:52 by erylingjet
    [Gaussian] 【求助】 请问gaussian中计算得到的超极化率单位是什么? (2/264) greatsea1212 2008-11-18 2008-12-01 20:05:05 by greatsea1212
    [NBO/AIM] 【求助】谁有NBO5.0可以分享一下吗? (3/509) nwwolfchj 2008-11-29 2008-12-01 17:37:11 by yyx19840628
    [Gaussian] 【求助】请高手给解释一个计算方法 (6/616) 小不点点 2008-11-28 2008-12-01 16:01:24 by yyx19840628
    [Gaussian] [求助]有关轨道电荷的问题 (3/386) fspdlh 2008-11-29 2008-12-01 15:09:26 by erylingjet
    [Gaussian] [求助]做TD激发态计算参考态是开壳问题 5 (5/388) runningcar 2008-11-28 2008-12-01 14:11:29 by 香薷谷
    [Gaussian] 精华IIIGaussian98中消去虚频的技巧 (17/4635) zzgyb 2007-12-04 2008-12-01 14:04:33 by yyx19840628
    [Gaussian] 【求助】高斯错误请教 (6/625) youmufeng 2008-11-28 2008-12-01 12:04:41 by youmufeng
    [其他] 【求助】:分子动力学软件的选择    ( 1 2 ) (13/1184) yidiandian2703 2008-11-17 2008-12-01 11:40:15 by moueor
    [Gaussian] 【求助】windows下gaussian的批处理 (7/518) fspdlh 2008-11-29 2008-12-01 08:46:42 by yyx19840628
    [Gaussian] 【求助】关于高斯计算的一个简单问题 (评阅+1) (1/210) bestery 2008-11-30 2008-12-01 08:22:02 by yyx19840628
    [其他] 【求助】请问哪里能找到HierDock? (1/247) gwdavid 2008-11-30 2008-11-30 20:25:59 by yyx19840628
    [其他] [关贴]【求助】没有晶体时一般需要哪些计算 (评阅+8) (1/129) zangtom 2008-11-30 2008-11-30 20:25:02 by yyx19840628
    [Gaussian] 【求助】求教如何读取高斯输出中的相关能 (4/474) qitayang 2008-11-16 2008-11-29 21:52:59 by yyx19840628
    [Gaussian] [求助]已知各个轨道系数如何计算某个原子在HOMO或者LUMO轨道中所占的比重 (3/424) yeziwon 2008-11-18 2008-11-29 19:13:32 by yeziwon
    [Gaussian] [讨论]为什么结构差一点,HOMO,LUMO相差很大 (1/209) tritiger 2008-11-29 2008-11-29 16:17:33 by erylingjet
    [Gaussian] 【求助】L101错误是为什么(未解决) (7/635) xianyuan 2008-11-27 2008-11-29 16:11:44 by pllyf2006
    [Gaussian] 【求助】不同温度下计算频率的输入错误,怎么办啊? (评阅+1) (2/160) 36du 2008-11-28 2008-11-29 08:32:53 by 36du
    [Gaussian] 【求助】输入文件里怎么设置分子点群 (5/658) ppshanshanqiu 2008-11-26 2008-11-28 21:35:38 by sandf
    [Gaussian] [求助]G03用MP2无法收敛 (5/525) gylai_ustc 2008-11-20 2008-11-28 20:07:19 by gylai_ustc
    分子模拟与化学工程 (3/118) guosy1999 2008-11-06 2008-11-28 11:05:56 by yyx19840628
    [Gaussian] Guassian 计算讨论 (1/194) a349857460 2008-11-05 2008-11-28 11:02:16 by yyx19840628
    [Gaussian] 【求助】计算过渡态,优化初始反应物遇到困难请帮忙! (9/827) majun04 2008-11-19 2008-11-28 10:58:40 by cysqxr
    [Gaussian] 【求助】G03 Segmentation Fault (1/158) abbott 2008-10-30 2008-11-28 10:58:16 by yyx19840628
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