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[热点] 2024 - Atropisomerism in Asymmetric Organic Synthesis asymmsyn 2026-02-07 刚刚
[Gaussian] 请帮忙看看我计算HOMO LUMO是否正确，谢谢！ (8/1900) xuzhj01 2011-05-19 2013-02-28 16:54:36 by damihu2011
[Gaussian] [已完结]紧急求助 (0/250) wei_99 2013-02-28 2013-02-28 13:05:43 by wei_99
[Gaussian] [已完结]model potential molecular dynamics(MPMD)怎么翻译？ (0/202) woaiyangyang 2013-02-28 2013-02-28 10:52:57 by woaiyangyang
[Gaussian] [已完结]在water中，优化TS总是optimization stopped (6/1465) jiangdafa 2013-02-24 2013-02-28 09:18:33 by ZZU2011
[Gaussian] [已完结]revTPSS (0/715) qingjing99 2013-02-28 2013-02-28 06:48:40 by qingjing99
[Gaussian] [已完结]专家的审稿意见... (1/488) zhoulm338 2013-02-27 2013-02-28 04:07:18 by agent99
[Gaussian] [已完结]Gaussian单机最多能用多少个线程？ (1/983) shengxiang 2013-02-27 2013-02-27 19:47:55 by hairan
[Gaussian] [已完结]M06-2x和DFT-D相比较哪个更好些呢？ (0/807) wangsihang 2013-02-27 2013-02-27 16:57:59 by wangsihang
[Gaussian] [已完结]紧急求助！ (0/215) Captain-Jack 2013-02-27 2013-02-27 13:36:46 by Captain-Jack
[Gaussian] [已完结]求助 请问如何用高斯计算动力学直径 (0/437) lyc2007 2013-02-26 2013-02-26 22:07:04 by lyc2007
[Gaussian] [已完结]多重态的HOMO LUMO 能极差的计算，该取哪个值 (5/1274) minmin_0082003 2013-02-25 2013-02-26 15:05:35 by 610354236
[Gaussian] [已完结]请教大家这种构型是怎么建出来的 (7/723) 0502114073 2013-02-24 2013-02-26 14:43:02 by duzhong
[Gaussian] 【求助】求问MP2/6-311++G(d,p) 频率校正因子 (6/1254) mn51 2010-04-17 2013-02-26 12:06:07 by yangwenpeng
[Gaussian] [已完结]求助如何做一个cover？ (0/353) Miracle922 2013-02-25 2013-02-25 17:41:13 by Miracle922
[Gaussian] [已完结]有哪位linux服务器装有高斯03 请帮我把几个chk文件转换成fchk格式 (2/729) lixiaocat 2013-02-23 2013-02-24 15:04:45 by jiameiye
[Gaussian] [已完结]谁能用gaussian帮我算下1,8-桉叶油素的优化结构，不胜感激！ (0/256) 心仪天下 2013-02-24 2013-02-24 09:41:48 by 心仪天下
[Gaussian] [已完结]问一个简单的问计算问题。 (5/736) zongyiyang 2013-02-23 2013-02-23 22:06:11 by zhangmt
[Gaussian] [已完结]什么作用关系导致体系能量减低，作用力变强，请高手们都踩踩，提提可能性 (9/872) 026li 2013-02-18 2013-02-23 16:23:32 by 026li
[Gaussian] [已完结]找过渡态遇到麻烦，求助了 (5/1034) aimonkey 2012-05-27 2013-02-23 06:55:10 by lishijunzong
[Gaussian] [已完结]关于频率计算 (2/399) celine蔡 2013-02-20 2013-02-22 08:29:00 by yanrding
[Gaussian] [已完结]求助，研究离子液体的朋友们，有无知道什么是“体相离子液体”？？谢谢 (0/326) wuyoung 2013-01-21 2013-02-21 09:51:58 by wuyoung
[Gaussian] [已完结]请问已知最大的偶极矩的量级是多少？ (0/894) champion1980 2013-02-15 2013-02-21 09:50:21 by champion1980
[Gaussian] [已完结][关贴]gaussian计算固体分解反应 (0/565) 至秦helen 2013-02-19 2013-02-21 09:49:48 by 至秦helen
[Gaussian] [已完结][关贴]GaussView 显示NBO轨道 (1/1885) daniell251 2013-02-17 2013-02-19 16:21:24 by lishijunzong
[Gaussian] [已完结]用DFT优化时，出现错误 (9/1518) 邵将洋 2013-01-29 2013-02-19 10:04:09 by marson
[Gaussian] [已完结]分析成键类型 (4/1153) 026li 2013-02-14 2013-02-18 09:07:20 by 026li
[Gaussian] [已完结]GAUSSIAN计算语法错误 (7/3601) 可米kemi 2011-11-18 2013-02-16 04:14:07 by alanzy9
[Gaussian] [已完结]请问IRC跑出来的反应物与优化的反应物不同怎么办？ (4/1494) schalke 2013-02-12 2013-02-14 09:08:29 by lihe_m9
[Gaussian] [已完结]MP2优化总不收敛 与什么好办法吗 (6/624) lixiaona158 2013-02-05 2013-02-08 15:57:40 by mlanqiang
[Gaussian] Pd（100）吸附 CO G09 (6/899) 026li 2013-02-05 2013-02-07 08:41:57 by 026li
[Gaussian] [已完结]高斯计算使用cpu的问题 (1/1333) kingleaves 2013-01-16 2013-02-06 08:53:38 by weiyin1977
[Gaussian] zeolite DFT adsorption (评阅+5) (4/952) 026li 2013-02-04 2013-02-05 13:39:51 by 026li
[Gaussian] [已完结]HMCM22簇模型 (1/342) wangsihang 2012-12-10 2013-02-05 13:25:51 by 026li
[Gaussian] 【求助】如何判断分子轨道是由各个原子的哪个轨道形成的    ( 1 2 ) (11/2612) shinee 2010-07-02 2013-02-03 21:48:42 by ZJboy
[Gaussian] [已完结]gaussian优化后得到的log文件为何无法得到红外光谱曲线？ (2/499) lorna639 2013-02-02 2013-02-03 15:27:03 by lorna639
[Gaussian] [已完结]请教局域频率计算 (0/276) liudiwen 2013-01-25 2013-02-03 14:28:09 by liudiwen
[Gaussian] [已完结]计算CD求助 (0/255) 齐君 2013-01-06 2013-02-03 11:09:38 by 齐君
[Gaussian] [已完结]阿伦尼乌斯公式求速率常数K (5/5718) 1160193784 2012-10-31 2013-02-02 14:06:21 by arsc
[Gaussian] [已完结]利用Gview如何分开设置基组？ (3/546) wangsihang 2013-01-31 2013-02-01 21:20:35 by gengle
[Gaussian] 【求助】TD计算吸收光谱的最大吸收波长？ (5/1912) sunhaitao 2010-11-16 2013-02-01 14:11:33 by iamlongwei
[Gaussian] [已完结]计算自由能 (1/821) xpz0216 2013-01-24 2013-01-31 16:58:01 by manester52
[Gaussian] [已完结]l301出错：Consistency failure #1 in Separa. (2/1388) wucx1234 2013-01-31 2013-01-31 13:26:01 by wucx1234
[Gaussian] [已完结]速率常数单位换算 cm3.molecule-1.s-1 cm3.mol-1.s-1 (1/6598) lixiaocat 2013-01-29 2013-01-31 11:13:46 by 467266420
[Gaussian] CI (1/780) sujialing 2013-01-14 2013-01-31 11:08:17 by 月雨风扬
[Gaussian] [已完结]gaussian预测的红外图谱 (1/573) zhulty 2013-01-30 2013-01-31 08:07:36 by lishijunzong
[Gaussian] [已完结]gaussian高手请进 (1/630) zhulty 2013-01-30 2013-01-30 19:13:05 by xjyuefan
[Gaussian] [已完结]IRC出错~求解，急！    ( 1 2 ) (14/1876) 华丽丽19605 2013-01-28 2013-01-30 12:57:38 by meteoric30
[Gaussian] [已完结]求助简单的量子化学计算 (0/405) yutianlly 2013-01-06 2013-01-30 11:03:16 by yutianlly
[Gaussian] [已完结]Ti-HMS和V-HMS，这是一种什么样的结构，求助立体空间结构 (0/343) wanghanlu 2013-01-26 2013-01-30 10:59:49 by wanghanlu
[Gaussian] [已完结]请教振动耦合计算 (0/501) liudiwen 2013-01-25 2013-01-30 10:59:36 by liudiwen
[Gaussian] [已完结][关贴]求助，用TDDFT的方法计算算圆二色谱，出错，正确的输入 (2/470) liweiyi123456 2013-01-15 2013-01-30 09:30:32 by liweiyi123456
[Gaussian] [已完结]计算重组能 (3/594) yxk8712 2011-07-11 2013-01-30 08:09:54 by iamlongwei
[Gaussian] 【讨论】请教各位，算重组能时，有一个中性态的离子态能量，这个能量是怎么算的？谢谢 (4/956) huixia2010 2010-07-06 2013-01-30 08:02:06 by iamlongwei
[Gaussian] [已完结]如何定义分子振动温度？ (1/953) luosizuo 2013-01-14 2013-01-29 10:15:44 by luosizuo
[Gaussian] [已完结]HOMO/LUMO转化为标准氢电极电势 (3/3148) 一刀飘雪 2013-01-13 2013-01-29 10:13:08 by 一刀飘雪
[Gaussian] [已完结]求助 亲电反应基组选择 (2/362) mamafanfan 2013-01-10 2013-01-29 09:37:40 by quantumor
[Gaussian] [已完结]gaussian里的CPCM低估反应能垒，校正常数是多少？ (0/283) mengsk 2013-01-29 2013-01-29 09:01:32 by mengsk
[Gaussian] [已完结]按教程计算分子的发射光谱后，如何做出发射光谱图？？ (5/901) fengyunb51 2013-01-25 2013-01-28 19:40:43 by fengyunb51
[Gaussian] [已完结]高斯跨节点运行 (0/309) wangsihang 2013-01-09 2013-01-28 13:35:59 by wangsihang
[Gaussian] [已完结]计算 (0/209) xiuyang 2013-01-14 2013-01-28 13:35:04 by xiuyang
[Gaussian] [已完结]关于过渡金属配合物的计算文献 (0/530) kexue001 2013-01-09 2013-01-28 13:32:31 by kexue001
[Gaussian] [已完结]CCSD(T)计算单点中断之后如何接着算？ (0/529) mscic 2013-01-28 2013-01-28 10:28:09 by mscic
[Gaussian] [已完结]过渡态 (1/315) cj陈娇 2013-01-14 2013-01-27 09:49:27 by huilaoshu999
[Gaussian] [专家] [已完结]弱问一下gaussian的这个问题是怎么回事？ (0/1862) jiewei 2013-01-17 2013-01-27 09:33:40 by jiewei
[Gaussian] [已完结]氧化还原之后的Alpha 和Beta轨道 (0/225) lixiaoqian12 2013-01-26 2013-01-27 09:29:55 by lixiaoqian12
[Gaussian] [已完结]关于Gaussian 能量的计算 (7/2291) 粉色@心情 2013-01-17 2013-01-27 09:22:14 by 粉色@心情
[Gaussian] [已完结]求助乳酸分子动力学直径 (0/714) sugarcm 2013-01-25 2013-01-26 21:22:59 by sugarcm
[Gaussian] [已完结][关贴]gaussian优化结构中的check文件 (1/756) huilaoshu999 2013-01-26 2013-01-26 15:53:46 by huilaoshu999
[Gaussian] 溶剂中的 non-electrostatic effects 有哪些啊？ (1/249) luojin7653 2013-01-25 2013-01-25 22:11:41 by yingying1588
[Gaussian] [已完结]溶剂参数 (1/707) wms07 2012-11-22 2013-01-25 19:10:18 by maomao6972
[Gaussian] [已完结]高斯电脑配置 (7/1577) wzq70402 2013-01-24 2013-01-25 09:23:53 by jjww0001
[Gaussian] [已完结]gaussian09win 怪怪的话 (3/842) dqwewewe 2013-01-24 2013-01-25 08:11:48 by gengle
[Gaussian] [已完结]高斯新手，请问如何入门？ (1/1064) liya87 2013-01-24 2013-01-24 13:48:25 by yjcmwgk
[Gaussian] 四个收敛值为什么不收敛？ (6/2227) zhanpeng1982 2013-01-22 2013-01-24 12:00:47 by zhanpeng1982
[Gaussian] [已完结]求高人看看这个电子密度图是用什么命令做出来的    ( 1 2 ) (14/1602) sweety0807 2013-01-21 2013-01-24 11:24:46 by mu00mu8
[Gaussian] [已完结]求高手解答！！ (4/418) musterants 2013-01-20 2013-01-23 23:06:39 by musterants
[Gaussian] [已完结]关于分子轨道名称的问题 (5/930) feynman1965 2013-01-18 2013-01-23 16:45:02 by 275560060
[Gaussian] 【求助】Error in internal coordinate system. (10/3512) baoyuan6969 2010-11-23 2013-01-23 14:49:12 by mika
[Gaussian] [已完结]求助，高斯09做BSSE时的错误 (1/573) tianwenk 2013-01-16 2013-01-23 10:33:25 by loovfnd
[Gaussian] [已完结]速率常数计算 (1/652) 至秦helen 2013-01-22 2013-01-22 22:30:44 by chembetsey
[Gaussian] [已完结]gaussian如何硬扫？ (2/531) mengsk 2013-01-22 2013-01-22 21:49:00 by 275560060
[Gaussian] [已完结]G03中溶剂化模型的选择 (9/2429) Leliel 2013-01-14 2013-01-21 19:34:43 by xjyuefan
[Gaussian] [已完结]Linux系统下Gaussion 09批量计算怎么输入 (2/827) 孟娜娜 2013-01-21 2013-01-21 15:57:46 by 孟娜娜
[Gaussian] [已完结]量化方法，调整二面角能垒高度 (2/436) mengsk 2013-01-19 2013-01-20 23:31:11 by mengsk
[Gaussian] [已完结]一个结构 一直有个小虚频 (8/1815) nyzhaoyin 2013-01-16 2013-01-20 21:23:52 by lmzhao
[Gaussian] 由晶体存出来的结构算的重组能与手画结构算出来的重组能有区别吗 (9/1107) bingdieduwu 2011-05-06 2013-01-20 18:46:09 by shaoyangno
[Gaussian] [已完结]ADMP温度控制 (2/845) sdjgdu 2013-01-16 2013-01-20 16:07:29 by sdjgdu
[Gaussian] [已完结]Gaussian 09 计算机内存 (5/2484) ak47b52mp5 2011-11-28 2013-01-19 16:53:09 by reid0011
[Gaussian] GO9W 版内存为什么最高只能设置到185MW (4/616) alix 2012-05-08 2013-01-19 16:51:11 by reid0011
[Gaussian] irc (9/1460) sujialing 2012-12-26 2013-01-19 10:34:04 by hdlzy2008
[Gaussian] [已完结]ccsd-aug-cc-pvdz求助 (9/1577) sdzccww 2013-01-17 2013-01-18 19:53:19 by sdzccww
[Gaussian] [已完结][关贴]求B3LYP算氢键不准确的文献 (5/599) 903566945 2013-01-15 2013-01-18 16:38:47 by loovfnd
[Gaussian] [已完结]有关gaussian03版本的问题 (1/234) ningmeng12 2013-01-17 2013-01-17 13:10:47 by eaglesofei
[Gaussian] [已完结]cube文件读取 (3/1779) 依然是yuki 2013-01-16 2013-01-17 10:12:32 by zhou2009
[Gaussian] [已完结]高斯S1态优化去虚频 (2/311) 会飞的种子 2013-01-16 2013-01-16 16:43:40 by 会飞的种子
[Gaussian] [已完结]量子化学计算 氧化还原电势的计算公式推导 (1/1837) keaiweiwei 2013-01-16 2013-01-16 15:35:34 by keaiweiwei
[Gaussian] [已完结]为什么计算速度如此之慢？！ (1/1204) Captain-Jack 2013-01-16 2013-01-16 14:11:38 by sunshoutian168
[Gaussian] [已完结][关贴]请教一个红外计算问题 (2/370) sunshinedan 2013-01-15 2013-01-16 11:37:54 by sunshinedan
[Gaussian] IRC计算求助 (10/999) xiaozufeng 2013-01-15 2013-01-16 11:31:19 by sujialing
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