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  • 计算模拟区:   |--------第一性原理
                          |--------量 子 化 学
                          |--------计 算 模 拟
                          |--------分 子 模 拟
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    [热点] 售SCI一区T0P文章,我:8.O.55.1.O.5.4,科目全,可+急 czAiolzR0IJC 2026-11-11 刚刚
    [Gaussian] 多年收集的高斯学习资料,倾力奉献给大家!!    ( 1 2 3 4 ) (189/13573) yangzunxian 2015-07-02 2026-09-22 07:37:13 by zcyhf
    [Gaussian] Gaussian 16 用户手册【中英双语对照版】,欢迎下载使用    ( 1 2 3 ) (120/32588) xianxianlu 2020-04-27 2026-09-14 10:37:57 by sanshao
    [Gaussian] 如何正确利用Gaussian来计算纤维素和染料分子之间的分子间作用力呢? (28/3918) 202220164333 2026-08-09 2026-09-11 12:31:10 by paramecium86
    [Gaussian] [已完结]求助!!请问Gaussian view里生成不了cube,MOs也更新不了,是什么问题啊? (5/2761) clymcl 2015-03-12 2026-09-07 12:12:37 by 学员cGrL2o
    [Gaussian] [已完结]Cubegen job计算失败,找不到原因,求高手解答 (7/3815) xilicui 2015-06-07 2026-09-06 14:48:42 by 学员cGrL2o
    [Gaussian] Gaussian入门常见问题的汇总——关于入门高斯的小小指南V1.5    ( 1 2 ) (94/5717) paramecium86 2020-05-09 2026-08-26 11:36:11 by ztang9870
    [Gaussian] 急求Linux版64位Gaussian09安装包或Gaussian16的安装包 500 (4/7429) fuying 2024-07-20 2026-07-03 20:30:49 by a495683094
    [Gaussian] 量子化学讲座和gaussian    ( 1 2 ) (90/11707) hopedream 2017-01-25 2026-05-29 09:22:39 by lwg3
    [Gaussian] 中文版+英文版exploring chemistry with electronic stucture methods    ( 1 2 3 ) (127/10405) 呆呆小媛 2014-09-19 2026-03-27 09:54:53 by zxcvzxcv1
    [Gaussian] [已完结]Gaussian优化出错,求助,谢谢 (9/5697) 2311248tfw 2012-03-14 2026-03-23 07:37:01 by 小悦子n号
    [Gaussian] gaussian09程序 for windows 安装版    ( 1 2 ) (59/13396) quruijuan 2017-12-21 2026-03-20 11:00:33 by 母虫
    [Gaussian] [已完结]gaussian添加电荷求助 (1/3838) 叮当0910 2026-03-17 2026-03-17 14:55:57 by paramecium86
    [Gaussian] [已完结]计算能级一直出错 (4/4635) 李LEEM 2026-01-16 2026-02-28 10:46:57 by 1944408826
    [Gaussian] [已完结]高斯计算 (2/2705) bodao 2026-02-11 2026-02-23 17:29:07 by hushengli
    [Gaussian] 章永凡-量子化学计算方法    ( 1 2 3 4 ) (153/14642) xiaoma0417 2014-11-18 2026-02-12 10:57:16 by jackage
    [Gaussian] 来个计算化学方面的大神带带我 (8/8748) 冯jy 2026-02-02 2026-02-03 17:45:48 by HER12025
    [Gaussian] Gaussian系列软件教程    ( 1 2 3 4 5 6 .. 10 ) (488/30359) whw.ustc 2013-09-08 2026-01-18 10:32:06 by 小蚂蚁1980
    [Gaussian] Gaussian View的使用说明书    ( 1 2 3 4 5 6 .. 8 ) (371/23097) 菜鸟都不算 2015-04-02 2026-01-18 10:30:34 by 小蚂蚁1980
    [Gaussian] 如何下载文献中的模型 10 (3/4395) 冯jy 2026-01-13 2026-01-16 12:15:21 by paramecium86
    [Gaussian] 计算化学有没有兼职可以做? (2/5677) Ansys119 2025-03-26 2026-01-06 13:47:16 by HER12025
    [Gaussian] 初学者快速入门——理论,实例和其它分子模型搭建软件一起使用 (41/7774) hopedream 2017-01-15 2025-12-03 06:13:00 by carsen
    [Gaussian] 高斯软件闪退 15 (4/3754) 秋天太慢 2025-10-30 2025-11-01 21:47:31 by xinweishi
    [Gaussian] 高斯 (4/3420) 13933068087 2018-03-30 2025-10-29 07:53:00 by HH-探针
    [Gaussian] 怎么把高斯用在萃取过程中呢?萃取过程可以算些啥呀? 5 (1/5105) Dylanminxu 2025-04-23 2025-10-27 12:05:06 by 羟基香茅醛
    [Gaussian] 求助:请问有人用Gaussian算过金属卟啉吗 5 (6/7115) 小慌不张 2024-12-26 2025-10-27 12:03:29 by 羟基香茅醛
    [Gaussian] 计算化学电脑配置 20 (5/7495) 学致用学所成 2025-05-17 2025-10-27 12:01:11 by 羟基香茅醛
    [Gaussian] 高斯计算NBO二阶稳定化能,计算结果找不到需要需要的轨道信息,多了一个片段 [ 50 (0/4525) dxyan 2025-09-22 2025-09-22 21:00:11 by dxyan
    [Gaussian] [已完结]HF成分 (3/4416) 李白6868 2020-06-20 2025-09-03 16:32:58 by paramecium86
    [Gaussian] 高斯计算问题    ( 1 2 ) 30 (15/6583) 666... 2024-02-27 2025-08-27 06:31:16 by 那株蓝莓不错
    [Gaussian] gaussian优化频率——分子模拟 10 (1/4636) 时时时光与你 2025-08-20 2025-08-21 14:57:21 by paramecium86
    [Gaussian] [已完结]《Fundamentals of Many-body Physics》请问谁有这本书的电子版本? (2/4765) 虫眼000 2025-08-03 2025-08-04 05:30:54 by xpp2012
    [Gaussian] 超极化率计算 (1/3364) helyfen 2025-06-28 2025-07-02 10:11:23 by paramecium86
    [Gaussian] 6-311g(2d,d,p)是什么基组 (6/4900) zhangweic 2025-05-27 2025-06-10 10:30:31 by paramecium86
    [Gaussian] Gauss View6.0分子绘图简明教程——适合初学者    ( 1 2 3 ) (100/17549) 叶上初阳哟 2019-02-24 2025-05-14 12:11:59 by 翼轸新人
    [Gaussian] 有什么方法可以得到影响自旋态转变的振动模式?或是分析自旋振动耦合的方法求助 20 (6/6475) 18366 2025-04-30 2025-05-08 09:15:03 by paramecium86
    [Gaussian] 外电场下势能面扫描 (10/4832) daba2016 2025-05-07 2025-05-07 17:20:55 by slytjiaofei
    [Gaussian] Handbook Of Computational Quantum Chemistry--David B. Cook    ( 1 2 ) (50/4683) hakuna 2014-03-30 2025-04-30 08:51:29 by wangwenju
    [Gaussian] 求助两个Gaussian基本问题,谢谢各位大神 35 (1/4288) 求花问道 2025-04-14 2025-04-17 13:07:41 by paramecium86
    [Gaussian] [已完结]通过SCAN二面角寻找顺反异构过渡态初值,但搜索过程中两个原子重合了,求助? (7/3615) luckyyjjun 2015-06-29 2025-03-31 07:14:15 by 我药上岸
    [Gaussian] 拉曼峰的归属 (49/8318) yangwenpeng 2012-09-11 2025-03-30 14:33:41 by mjjdlut
    [Gaussian] 开环的键解离能怎么计算求助 50 (1/3801) 学员AO62qX 2025-03-16 2025-03-17 13:24:48 by paramecium86
    [Gaussian] 更新Exploring Chemistry with Electronic Structure Method_中英文第二版第三版网盘    ( 1 2 ) (62/2215) paramecium86 2020-03-21 2025-02-13 14:01:04 by liwenhui7898
    [Gaussian] 优化能量总是算一半停了该怎么办T_T (1/3650) 芬达! 2025-01-21 2025-01-25 23:14:41 by paramecium86
    [Gaussian] 用Gaussian做周期性计算。    ( 1 2 ) (69/8546) sjzxbe 2014-04-14 2025-01-24 15:58:53 by lvdq44
    [Gaussian] 有偿求助如何通过Gaussian软件计算筛选与多肽最匹配的单体 15 (2/4408) angelawangxx 2024-11-12 2025-01-20 09:30:24 by 盗我QQ者必下地�
    [Gaussian] [已完结]氘水与水的氢键作用有无差别? (4/3794) jlsdyac 2012-12-25 2025-01-16 12:08:24 by 人壬雨路
    [Gaussian] 求助:Gaussian中ONIOM,分了层之后Multilayer ONIOM Model还是不能选择 10 (0/3537) 开心市民小姚 2025-01-10 2025-01-10 15:19:35 by 开心市民小姚
    [Gaussian] [已完结]如何使用高斯 09计算双分子(dimer)的HOMO和LUMO能量 (4/3474) gaobin 2015-07-08 2025-01-10 06:54:06 by JoyceLv
    [Gaussian] [已完结][关贴]施加外电场,寻找过渡态时显示不识别H元素 (3/6872) wangrui0517 2025-01-03 2025-01-04 13:52:54 by paramecium86
    [Gaussian] 高斯做紫外吸光谱和荧光光谱的方法(不一定准确哈)    ( 1 2 3 ) (123/25034) 小范范1989 2015-06-19 2024-12-31 18:23:48 by 披风pifeng
    [Gaussian] 轴手性化合物旋转能垒计算 60 (3/5686) 宁月长风 2024-12-23 2024-12-23 20:58:53 by czyzsu
    [Gaussian] 求助审稿关于DFT calculation the criteria of the global PEC minima fulfilled? 30 (3/4095) maoxiao 2024-12-21 2024-12-22 19:19:12 by maoxiao
    [Gaussian] 能垒计算 50 (4/4058) 虫虫冲wa 2024-12-21 2024-12-22 11:27:52 by 虫虫冲wa
    [Gaussian] 计算S1,T1以及Tn的计算过程,请求大佬看一下计算过程给予指导 60 (3/4637) 花放迟 2024-12-11 2024-12-14 10:23:35 by paramecium86
    [Gaussian] 最全的高斯软件学习-----辛辛苦苦收集的 都奉献出来    ( 1 2 3 4 5 6 .. 16 ) (793/42346) 学员PzX7SI 2011-12-11 2024-12-10 12:00:32 by 406819178
    [Gaussian] [已完结]用gaussview查看HOMO和LUMO的轨道图    ( 1 2 ) (12/12480) 孤心芳菲 2014-03-20 2024-12-05 07:04:13 by 月下流星
    [Gaussian] DFT计算中溶剂选择对分子的LUMO HUMO的影响 (9/7781) dhppp 2024-11-16 2024-11-18 09:45:28 by dhppp
    [Gaussian] 高斯模拟偶极矩 5 (2/4056) keyanyue 2024-08-10 2024-11-09 05:56:36 by 中科科英002
    [Gaussian] [已完结]gaussian 计算的力常数和频率不一致?请教 (7/4175) gswylq 2014-11-18 2024-11-06 20:10:06 by 18366
    [Gaussian] DFT计算的直角坐标数据 20 (1/4031) chungea 2024-11-05 2024-11-06 08:07:14 by czyzsu
    [Gaussian] 为什么我用DFT的方法计算出的结果和半经验计算出的结果不一样? 18 (1/5244) 大哥们救救我 2024-10-30 2024-10-30 17:37:48 by paramecium86
    [Gaussian] 在用G09W计算频率是出现以下错误( 721 does not exist和722 does not exist) (1/3390) mytangsci 2014-09-16 2024-10-24 06:42:49 by Akkz
    [Gaussian] 小白求大神指点,HOMO和LUMO在gv中显示的问题 5 (1/5027) a690605997 2024-10-23 2024-10-23 11:03:53 by paramecium86
    [Gaussian] 圆二色谱图怎么看的呢 (14/7800) Qinhaobei 2024-10-17 2024-10-18 08:47:37 by gordon399
    [Gaussian] 求助大神关于高斯软件版权的问题? 20 (1/5396) maoxiao 2024-10-11 2024-10-12 11:12:42 by paramecium86
    [Gaussian] Exploring Chemistry With Electronic Structure Methods 中文和英文版    ( 1 2 3 4 5 6 .. 12 ) (571/27116) 枫谢花开 2013-10-15 2024-10-08 15:01:46 by zhangfb
    [Gaussian] [关贴]求 gaussian-linux版本 软件 400 (0/3331) zhangfb 2024-10-07 2024-10-07 14:44:17 by zhangfb
    [Gaussian] 高斯09版权求助 5 (1/4782) zhukairuo 2024-09-26 2024-09-27 10:55:18 by mt13
    [Gaussian] 求助 (1/3256) 勋鹿034 2024-09-26 2024-09-27 10:41:23 by mt13
    [Gaussian] td-dft计算紫外和结果不一致 10 (0/4224) hxj78 2024-09-22 2024-09-22 20:16:12 by hxj78
    [Gaussian] [关贴]各位大佬们求一个gaussview和Gaussian的安装包 10 (0/3968) 落魄的熊猫头 2024-09-14 2024-09-14 16:28:02 by 落魄的熊猫头
    [Gaussian] [已完结]求助大神关于SCF不收敛(Convergence failure -- run terminated)的问题 (1/6522) maoxiao 2024-09-11 2024-09-12 10:28:49 by paramecium86
    [Gaussian] [已完结]求助大神关于gaussview怎么设置高分辨率的图片 (2/5580) maoxiao 2024-09-08 2024-09-11 11:16:25 by maoxiao
    [Gaussian] 求助大神关于GaussView5.09 安装后打开出现提示gv5.key文件无效问题 50 (0/4044) maoxiao 2024-09-04 2024-09-04 23:38:59 by maoxiao
    [Gaussian] [已完结]gaussian 求助 (2/2545) scuwang 2014-05-21 2024-08-25 18:03:18 by polydopa
    [Gaussian] 求win64版本的gmmx模块安装包 (39/6950) 如果没有额 2023-09-22 2024-08-08 06:15:11 by 喜东东啾咪
    [Gaussian] 输出文件一直报错 (3/3072) 芬达! 2024-08-01 2024-08-01 17:44:31 by 芬达!
    [Gaussian] 反应速率常数 (0/1951) 皮卡77 2024-07-29 2024-07-29 16:02:53 by 皮卡77
    [Gaussian] 请教ECD,想学ECD (15/4672) Qinhaobei 2024-07-07 2024-07-28 18:08:53 by xdllsq1314
    [Gaussian] 开始计算就出现报错 20 (1/2832) 微柒靖言 2024-07-05 2024-07-05 19:59:10 by paramecium86
    [Gaussian] [已完结]求助Gauss03考虑溶剂化作用下算A+B=AB的结合能 (4/2156) kaluoyi2008 2012-06-02 2024-06-28 13:27:33 by paramecium86
    [Gaussian] 振动分辨电子光谱 (14/4770) 皮卡77 2024-06-13 2024-06-17 08:57:39 by 皮卡77
    [Gaussian] 求win10操作系统 (64位) Gaussian09软件安装包谢谢 50 (6/4193) lewis19886 2020-11-08 2024-06-05 12:53:07 by lewis19886
    [Gaussian] 求Gaussian圣经exploring chemistry 2nd 算例 6 (4/2646) 水中有明月 2024-04-14 2024-05-31 14:18:33 by Iduo417063
    [Gaussian] 反应能垒 10 (1/2390) 虫虫冲wa 2024-05-29 2024-05-29 17:24:28 by paramecium86
    [Gaussian] 有机合成理论计算求教 50 (0/2092) liyanqi777 2024-05-18 2024-05-18 19:57:53 by liyanqi777
    [Gaussian] win版高斯16做DFT计算,出现2070报错,OUT文件未给出报错理由 5 (1/3070) 李LEEM 2024-05-02 2024-05-02 22:52:08 by paramecium86
    [Gaussian] [专家] Gaussian09中文用户参考手册(PDF,DOC)    ( 1 2 3 4 5 6 .. 15 ) (724/38542) beefly 2011-08-01 2024-04-06 16:07:22 by 霍上岸啊
    [Gaussian] 求助Gauss5.0.9软件包及安装手册 100 (2/2229) 18794859500G 2024-03-28 2024-03-28 14:14:05 by 18794859500G
    [Gaussian] 隐式溶剂模型 10 (1/2161) 虫虫冲wa 2024-03-27 2024-03-27 18:50:44 by paramecium86
    [Gaussian] 赝式基组输入文件 10 (2/2310) 虫虫冲wa 2024-03-20 2024-03-21 16:52:37 by 虫虫冲wa
    [Gaussian] 高斯结构优化虚频怎么消,虚频结构的单点能还可靠吗 10 (2/2606) 小吕0413 2024-03-20 2024-03-21 09:56:02 by neweroica
    [Gaussian] 为什么Gaussview打开Output文件时无法查看分子构型只能查看文件? 10 (2/2534) 贰饱哈哈 2024-03-19 2024-03-20 10:14:16 by 贰饱哈哈
    [Gaussian] gaussview (2/2136) 贰饱哈哈 2024-03-18 2024-03-18 15:41:24 by 贰饱哈哈
    [Gaussian] 内存权限设置 10 (1/2091) 虫虫冲wa 2024-03-18 2024-03-18 10:15:46 by paramecium86
    [Gaussian] [已完结]ZSM-5建模 (2/2501) wubingfeng 2020-03-04 2024-03-13 07:19:13 by 天天进步啊
    [Gaussian] 计算问题 20 (1/1772) 666... 2024-03-09 2024-03-09 19:26:02 by paramecium86
    [Gaussian] 理论计算化学 10 (1/1928) 虫虫冲wa 2024-03-03 2024-03-04 00:06:36 by paramecium86
    [Gaussian] 高斯计算问题 50 (1/2149) 666... 2024-03-01 2024-03-01 21:06:47 by paramecium86
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