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[热点] 基金委咋了？2026年的指南还没有出来？ mrkang 2026-01-19 刚刚
[Gaussian] [已完结]如何做MP2? (0/860) liujkbenben 2011-04-26 2011-04-26 20:32:29 by liujkbenben
[Gaussian] [已完结]初学者请教MP2 (2/301) liujkbenben 2011-04-19 2011-04-26 20:28:51 by liujkbenben
[Gaussian] [已完结]非线性的计算方法 (0/168) 365tian 2011-04-26 2011-04-26 18:39:11 by 365tian
[Gaussian] [已完结]请教高手，可以帮我看一下这个题吗？ (9/836) 军拥天下 2011-04-20 2011-04-26 15:44:03 by 军拥天下
[Gaussian] [已完结]激发态优化中λ，E,F用哪里的？ (8/1009) wuhan13517 2011-04-24 2011-04-26 10:41:50 by wuhan13517
[Gaussian] [已完结]CASSCF算基态，换大基组，L405报错 (6/1676) daiyulan85 2011-04-25 2011-04-26 10:40:05 by beefly
[Gaussian] [已完结]HF+ZPE不等于sum of electronic and ZPE (0/190) wuqijun1977 2011-04-26 2011-04-26 10:20:25 by wuqijun1977
[量化图形 ] [已完结]求助个问题 (0/213) nlwxp 2011-04-25 2011-04-25 23:01:07 by nlwxp
[Gaussian] [已完结]ONIOM输出中的extrapolated energy (0/172) huying15 2011-04-25 2011-04-25 21:58:10 by huying15
[其他] [已完结]khimera输出的活化能Ea的单位是??????? (0/1633) a-b-c 2011-04-25 2011-04-25 14:00:26 by a-b-c
[Gaussian] [已完结]稳定点的表征（虫侠们,SOS） (1/271) courage2010 2011-04-25 2011-04-25 12:52:39 by 书万里
[Gaussian] [已完结]请问高手如何在gaussian03中如何实现双基组计算（double Zeta basis set ） (2/1003) daoshiliu 2011-04-25 2011-04-25 11:26:42 by jiewei
[量化新手 ] [已完结]number of optical isomers 怎么看？有什么方法么 (0/140) efeyer 2011-04-25 2011-04-25 08:18:47 by efeyer
[量化新手 ] [已完结]external symmetry 是什么东西啊？ (0/256) efeyer 2011-04-25 2011-04-25 08:17:08 by efeyer
[Gaussian] [已完结]轨道对称性 (4/489) zml2009 2011-04-24 2011-04-24 21:34:35 by zml2009
[Gaussian] [已完结]G09怎么计算荧光效应和激发态的cis优化···· (9/2293) wuhan13517 2011-04-22 2011-04-24 20:35:43 by wuhan13517
[Gaussian] [已完结]带金属原子计算CUBE (5/778) zzl7337 2011-04-24 2011-04-24 18:52:54 by gmy1990
[Gaussian] [已完结]求助荧光光谱计算 (7/1324) alexander8108 2011-04-20 2011-04-24 16:28:18 by xsm713
[Gaussian] [已完结]Gaussian 高手进~~急 (金币≥100)(6/103) 晓玉儿 2011-04-20 2011-04-24 13:09:54 by 晓玉儿
[Gaussian] [已完结]三zeta基组 (3/865) blueybz 2011-04-21 2011-04-24 10:44:18 by jjww0001
[Gaussian] [已完结]OPTIMIZATION STOPPED MAXIMUM ITERATIONS EXCEEDED (2/311) 刘志凌 2011-04-24 2011-04-24 09:51:32 by ghcacj
[Gaussian] [已完结]关于oscillator strength (3/2745) zqtian501 2011-04-23 2011-04-24 09:45:26 by gmy1990
[ADF/Dal ] [已完结]adf中 band模块，画能带的k点怎么调节？ (金币≥50)(0/43) 贺仪 2011-04-23 2011-04-23 21:46:24 by 贺仪
[Gaussian] [已完结]请问关于反应体系的简化，苄基可以简化为什么基团 (1/436) cleaner_1 2011-04-23 2011-04-23 20:35:57 by recoli
[其他] [已完结]写好化学论文技巧 (1/288) 我的未来bsm 2011-04-22 2011-04-23 14:57:22 by wuhan13517
[Gaussian] [已完结]关于自旋多重度计算问题 (3/1530) liujodan 2011-04-22 2011-04-23 13:21:02 by liujodan
[ADF/Dal ] [已完结]ADF进行能量分解计算 (3/1040) liuyusuc 2011-04-20 2011-04-23 12:55:28 by liuyusuc
[Gaussian] [已完结]计算方法求助 (0/151) tuzi198711 2011-04-23 2011-04-23 07:59:40 by tuzi198711
[Gaussian] [已完结]如何编写输入格式 (2/221) ww1987 2011-04-22 2011-04-22 21:18:14 by heyo_123
[Gaussian] [已完结]为什么过渡态在HF找到了，DFT下就没有了？ (1/309) zhengpc3505 2011-04-22 2011-04-22 20:26:36 by 奔鲨
[Gaussian] [已完结]cube结果文件如何限定结果范围 (3/869) kwit 2011-04-20 2011-04-22 10:41:16 by zhou2009
[Gaussian] [已完结]对HOMO的贡献    ( 1 2 ) (13/1064) yxk8712 2011-04-19 2011-04-22 10:15:19 by yxk8712
[Gaussian] [已完结]计算硫酸亚汞加热均裂成硫酸亚汞自由基反应热力学的一些困惑 (3/1121) 20928140 2011-04-20 2011-04-22 10:08:48 by 奔鲨
[Gaussian] [已完结]关于 t1diag ？ (0/519) wanghui381 2011-04-22 2011-04-22 10:03:03 by wanghui381
[Gaussian] [已完结]高斯计算光谱时用的是什么理论 (1/375) meyhf 2011-04-21 2011-04-21 17:18:02 by gmy1990
[Gaussian] [已完结]请大家指点如何做两化合物的相互作用？ (6/1247) liujkbenben 2011-04-19 2011-04-21 13:07:00 by boylc789
[Gaussian] [已完结]求助：用gaussian03 对ammonia dimer 进行势能面扫描！急！！！！！！！！！1 (0/250) fhqwfn123 2011-04-21 2011-04-21 09:07:32 by fhqwfn123
[其他] [已完结]求AB2化合物，A的配位数大于8 (0/195) hn19870519 2011-04-20 2011-04-20 19:52:01 by hn19870519
[Gaussian] [已完结]T1过渡态的几何结构优化CASSCF和UHF不同为什么 (1/382) cwdong8309 2011-04-20 2011-04-20 16:37:14 by fatpig8832
[Gaussian] [已完结]求助啊，gaussian高手进 (2/338) sqh929 2011-04-20 2011-04-20 16:26:10 by sqh929
[其他] [已完结][关贴]求助：一种络合物的内聚能 (0/238) 好牙膏 2011-04-20 2011-04-20 16:21:37 by 好牙膏
[NBO/AIM] [已完结]bond path ， bond basin用汉语翻译过来怎么解释？ (4/988) MVP41 2011-04-20 2011-04-20 15:18:20 by lihb734
[Gaussian] [已完结]关于高斯计算的问题！ (金币≥1)(2/75) simonfm 2011-04-18 2011-04-20 15:06:09 by dfjk-123
[NBO/AIM] [已完结]化学键离子性计算 (0/690) liuyusuc 2011-04-20 2011-04-20 12:27:05 by liuyusuc
[Gaussian] [已完结]关于基组的问题 (1/235) jinwenyang 2011-04-19 2011-04-19 23:07:13 by beefly
[Gaussian] [已完结]求助 (2/290) dxjdmy 2011-04-19 2011-04-19 17:04:25 by gmy1990
[NBO/AIM] [已完结]NBO中电荷转移分析 (1/1201) saradzj 2011-04-19 2011-04-19 13:59:41 by qzhaosdu
[Gaussian] [已完结]计算设置 (5/487) lyy880530 2011-04-18 2011-04-19 08:22:39 by lyy880530
[Gaussian] [已完结]Gaussian 09软件 (金币≥10)(2/223) weiling082 2011-04-18 2011-04-18 21:59:08 by weiling082
[Gaussian] [已完结]请帮忙看看自定义基组出错在哪里？ (1/489) fooo 2011-04-18 2011-04-18 14:34:12 by fooo
[Gaussian] [已完结]GAUSSIAN软件中基组的选择 (金币≥100)(1/81) 晓玉儿 2011-04-18 2011-04-18 13:23:00 by gmy1990
[Gaussian] [已完结]这个谁会啊？ (8/969) funk223 2011-04-18 2011-04-18 12:19:23 by funk223
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