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[热点] 售SCI一区文章,我:8.O.551.O.5.4,科目全,可伽急 ZYXdhzDAy9ZX 2026-10-02 刚刚
[量化图形 ] sybyl-x 2小分子构象搜索教程 100 (0/4032) ZEUSCJP 2024-10-15 2024-10-15 11:58:09 by ZEUSCJP
[Gaussian] 求助大神关于高斯软件版权的问题? 20 (1/4970) maoxiao 2024-10-11 2024-10-12 11:12:42 by paramecium86
[Gaussian] [关贴]求 gaussian-linux版本 软件 400 (0/2955) zhangfb 2024-10-07 2024-10-07 14:44:17 by zhangfb
[Gaussian] 高斯09版权求助 5 (1/4392) zhukairuo 2024-09-26 2024-09-27 10:55:18 by mt13
[Gaussian] 求助 (1/2862) 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 (0/3844) 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 (0/3580) 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 (1/6005) 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 (2/5119) 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 (0/3642) maoxiao 2024-09-04 2024-09-04 23:38:59 by maoxiao
[其他] 求助Cu-TCNQ晶体结构phase I 和 phase II,需要.xsd格式 100 (0/2549) xg1987 2024-08-20 2024-08-20 16:22:30 by xg1987
[Multiwfn] 做这些具体有何意义 (13/4606) 182135 2024-08-13 2024-08-14 16:31:11 by 182135
[Gaussian] 求win64版本的gmmx模块安装包 (39/6557) 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 (3/2658) 芬达! 2024-08-01 2024-08-01 17:44:31 by 芬达!
[Gaussian] 反应速率常数 (0/1573) 皮卡77 2024-07-29 2024-07-29 16:02:53 by 皮卡77
[Gaussian] 请教ECD,想学ECD (15/4290) Qinhaobei 2024-07-07 2024-07-28 18:08:53 by xdllsq1314
[量化图形 ] chemcraft (1/2741) 小猪泡泡 2023-11-19 2024-07-25 13:41:57 by zhoutl970
[量化新手 ] 想问问uu们,物质质子化前后能量变化怎么计算? (16/2607) Full_light 2024-07-17 2024-07-20 19:10:08 by czyzsu
[Molpro/ ] molpro计算中SCF能量错误地收敛到较高的态 110 (2/3768) 1466036890 2023-06-09 2024-07-10 10:28:28 by yongleli
[Gaussian] 开始计算就出现报错 20 (1/2437) 微柒靖言 2024-07-05 2024-07-05 19:59:10 by paramecium86
[量化新手 ] 固体量子化学——材料化学的理论基础 (33/4439) 嘟嘟不吃糖 2020-08-27 2024-06-21 17:21:22 by hxzhang1982
[其他] 自由基测定 (0/1452) puer777 2024-06-19 2024-06-19 17:01:07 by puer777
[Gaussian] 振动分辨电子光谱 (14/4367) 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 (6/3791) lewis19886 2020-11-08 2024-06-05 12:53:07 by lewis19886
[量化新手 ] gaussian09提交任务时候报错 10 (2/2058) cxq2002 2024-06-01 2024-06-01 21:32:39 by paramecium86
[Gaussian] 求Gaussian圣经exploring chemistry 2nd 算例 6 (4/2260) 水中有明月 2024-04-14 2024-05-31 14:18:33 by Iduo417063
[Gaussian] 反应能垒 10 (1/2000) 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 (0/1722) liyanqi777 2024-05-18 2024-05-18 19:57:53 by liyanqi777
[量化新手 ] 量子化学gaussian计算    ( 1 2 ) (18/7610) 疯不觉KG 2019-11-14 2024-05-06 16:15:12 by xinweishi
[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 (1/2656) 李LEEM 2024-05-02 2024-05-02 22:52:08 by paramecium86
[量化图形 ] catmap安装 200 (4/2762) jiang012 2022-07-08 2024-04-23 07:54:41 by 是小智呦
[其他] 有关结构优化,泛函的选择。 5 (0/1662) 瞳心NC 2024-04-15 2024-04-15 16:57:01 by 瞳心NC
[Linux应 ] 求助 使用MOMAP对ISC速率进行计算,在输出文件内无法得到ISC速率是什么原因? 20 (0/4163) 爱上日落 2024-04-08 2024-04-08 20:18:58 by 爱上日落
[Gaussian] 求助Gauss5.0.9软件包及安装手册 100 (2/1836) 18794859500G 2024-03-28 2024-03-28 14:14:05 by 18794859500G
[Gaussian] 隐式溶剂模型 10 (1/1781) 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 (2/1888) 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 (2/2184) 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 (2/2100) 贰饱哈哈 2024-03-19 2024-03-20 10:14:16 by 贰饱哈哈
[Gaussian] gaussview (2/1734) 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 (1/1687) 虫虫冲wa 2024-03-18 2024-03-18 10:15:46 by paramecium86
[Gaussian] [已完结]ZSM-5建模 (2/2113) wubingfeng 2020-03-04 2024-03-13 07:19:13 by 天天进步啊
[量化图形 ] 高斯计算参数设置 10 (1/1898) 666... 2024-03-09 2024-03-09 19:28:12 by paramecium86
[Gaussian] 计算问题 20 (1/1386) 666... 2024-03-09 2024-03-09 19:26:02 by paramecium86
[Gaussian] 理论计算化学 10 (1/1555) 虫虫冲wa 2024-03-03 2024-03-04 00:06:36 by paramecium86
[Gaussian] 高斯计算问题 50 (1/1762) 666... 2024-03-01 2024-03-01 21:06:47 by paramecium86
[其他] [已完结]请教大家一个建模问题: 五边形石墨烯(penta-graphene)如何建模? (8/3914) JDCooper 2019-06-12 2024-03-01 10:13:56 by hu-噜噜噜
[Gaussian] 高斯计算问题 10 (1/1694) 666... 2024-02-24 2024-02-24 16:24:51 by paramecium86
[量化图形 ] 有老哥用双路e5的主机跑过ms么?会不会不稳定啊? (1/1780) 玛卡巴卡w 2024-02-19 2024-02-19 11:52:42 by echo1994
[其他] 如果我说,量子是一种差别形式,你怎么看? (0/1576) 深圳郭绍华 2024-01-31 2024-01-31 11:43:52 by 深圳郭绍华
[量化图形 ] [已完结]求助materials studio 安装包及破解教程 (4/5378) zcy789 2019-09-17 2024-01-29 10:17:30 by inerta
[Turbomo ] ORCA测试无法打开输入文件! 5 (8/4924) yuankanxue 2023-09-19 2024-01-21 11:08:54 by qiuzhian
[量化图形 ] 什么软件可以模拟分子中原子的杂化轨道?各位大神请帮忙    ( 1 2 ) 20 (11/3467) 03155617021 2023-10-23 2024-01-19 07:28:50 by 17703160967
[Gaussian] 自旋多重度的计算 50 (4/2284) 万事顺意北 2024-01-17 2024-01-18 15:22:52 by 万事顺意北
[Gaussian] 高斯问题 5 (1/1941) 666... 2024-01-15 2024-01-15 12:06:04 by paramecium86
[Gaussian] 高斯计算问题 10 (1/1724) 666... 2024-01-14 2024-01-14 23:16:16 by paramecium86
[Gaussian] 求助Gaussian16消虚频小程序,谢谢,金币不够再加。 55 (1/1515) lujun2910 2024-01-14 2024-01-14 22:37:16 by lujun2910
[量化图形 ] 求助molekel安装包 50 (0/1355) rui420519 2024-01-11 2024-01-11 09:37:26 by rui420519
[Gaussian] 探索化学的奥秘,电子结构方法 (2/1928) machunyude 2024-01-10 2024-01-11 00:28:06 by machunyude
[Gaussian] [已完结]高斯计算问题 (4/2075) 666... 2024-01-09 2024-01-10 13:51:32 by paramecium86
[Gaussian] 高斯计算问题 50 (2/1960) 666... 2024-01-07 2024-01-08 12:29:31 by 666...
[Gaussian] [已完结]总是link died,然后错误的原因在图片中 (3/2783) 03155617021 2023-11-15 2024-01-07 21:45:20 by 03155617021
[Gaussian] TS过渡态 10 (2/1815) 虫虫冲wa 2023-12-29 2023-12-30 22:24:02 by 虫虫冲wa
[Gaussian] 四齿配体配位的Ru化合物的配位数与自旋多重态的疑问 5 (2/2637) zhuyoucai 2023-09-01 2023-12-21 08:56:58 by 冀台村001
[Gaussian] 柔性扫描 10 (1/1847) 虫虫冲wa 2023-12-14 2023-12-14 15:15:42 by paramecium86
[Gaussian] 分子筛建模结构优化前如何固定部分原子? 30 (1/1943) 可以毕业吗 2023-11-21 2023-12-07 17:58:31 by 天天进步啊
[Gaussian] [已完结]求Gaussian09/16 ,gaussview windows版本安装包 (7/4175) liuchun521 2020-04-28 2023-12-04 10:08:50 by xyf9526
[Gaussian] 【求助】Fukui计算N-1出错,报错提示是l502.exe 程序错误,不知何解,求帮助 50 (1/2417) 秋风沐雨 2023-12-03 2023-12-03 23:35:05 by paramecium86
[Turbomo ] ORCA计算磷光速率Kp和系间窜越Kisc求助 (5/4239) hcmzj668 2023-11-29 2023-11-30 14:40:47 by hcmzj668
[Gaussian] [已完结]垂直电子亲和能怎么计算 (5/2370) sunday6392 2023-11-28 2023-11-29 08:08:44 by sunday6392
[Gaussian] 计算报错 10 (1/1855) 虫虫冲wa 2023-11-28 2023-11-28 16:29:18 by paramecium86
[Gaussian] 过渡金属配合物磷光振动分辨光谱计算的求助 100 (2/2220) yes.and. 2023-04-21 2023-11-27 05:47:32 by 竖走的螃蟹
[Gaussian] gaussian续算 10 (4/2270) 虫虫冲wa 2023-11-24 2023-11-26 11:20:53 by 虫虫冲wa
[Gaussian] Chemcraft软件 10 (8/4059) lzn151 2022-02-19 2023-11-20 19:14:36 by 小猪泡泡
[Gaussian] 计算化学 (2/1719) 虫虫冲wa 2023-11-17 2023-11-17 17:25:39 by 虫虫冲wa
[Gaussian] SN1反应势能面扫描 10 (2/1902) 虫虫冲wa 2023-11-11 2023-11-15 17:06:10 by 虫虫冲wa
[Gaussian] 自旋多重度 10 (2/1723) 虫虫冲wa 2023-11-04 2023-11-08 15:31:10 by 虫虫冲wa
[Turbomo ] 求助 使用orca对ISC速率进行计算时出现无法调取文件的报错应该怎么解决? 20 (4/2359) 爱上日落 2023-11-02 2023-11-04 10:29:15 by 爱上日落
[文章故事] 求电子书 化学键的本质 5 (0/1500) ghhhdgn 2023-10-18 2023-10-18 14:12:12 by ghhhdgn
[Gaussian] 势能面扫描 10 (1/1888) 虫虫冲wa 2023-10-01 2023-10-06 01:25:38 by paramecium86
[其他] DP4+NMR计算 (2/3208) 语过添情1 2022-04-01 2023-10-03 08:38:41 by 天天进步啊
[Gaussian] 量子化学基础 分子轨道 HF理论 (0/1791) 学员90J8YK 2023-09-30 2023-09-30 08:33:06 by ZWLweilai
[Gaussian] 高斯计算吸附能 60 (2/2743) sjshhe 2023-08-30 2023-09-27 14:20:47 by mo春春Cc
[Gaussian] 怎么使用chk文件继续进行被中断的计算呢? (14/7075) 1773258 2022-10-11 2023-09-27 11:17:10 by mo春春Cc
[Gaussian] 结构优化 5 (3/2200) 虫虫冲wa 2023-09-25 2023-09-27 09:11:02 by mo春春Cc
[Gaussian] 求助 10 (2/1726) 虫虫冲wa 2023-09-21 2023-09-23 05:40:10 by 虫虫冲wa
[Gaussian] 求助:gauss 单点能 中断后还能继续算么? 30 (9/5096) aaq2800 2020-10-16 2023-09-18 05:07:26 by aaq2800
[Gaussian] 求gaussview6的gmmx模块Windows版! 5 (5/3548) 山水ww 2022-12-22 2023-09-10 17:58:01 by csyy123
[Gaussian] 2070错误 10 (1/2300) 甜甜美美zh 2023-09-08 2023-09-09 20:56:37 by paramecium86
[Gaussian] 重组能分解 (10/1643) 皮卡77 2023-09-08 2023-09-08 21:47:19 by ATLANTS
[Multiwfn] linux系统multiwfn 4 (2/2132) 皮卡77 2023-08-30 2023-09-07 00:35:29 by tzynew
[Gaussian] [已完结]过渡态搜索 (3/3317) myw123456 2020-11-14 2023-09-04 10:44:44 by liuliuHPC
[Multiwfn] [已完结]tsct与tbct比例 (0/1550) 皮卡77 2023-08-30 2023-08-30 14:23:15 by 皮卡77
[其他] Job opening: Research Scientist - Computational Chemistry at Solvay (8/2681) cnhorse86 2023-07-31 2023-08-28 11:12:22 by cnhorse86
[Gaussian] [已完结]高斯计算caspt2 (3/5280) lu589 2019-03-18 2023-08-12 12:13:07 by 1234zou
[Molpro/ ] [已完结]求助利用molpro做CASPT2计算的输入文件 (2/2413) 1466036890 2023-05-10 2023-08-12 11:54:16 by 1234zou
[Gaussian] 关于NPA电荷分析反应位点 5 (0/1648) 爱吃山竹a 2023-08-11 2023-08-11 18:59:19 by 爱吃山竹a
[Gaussian] 求助GaussianVeiw安装包及安装教程 20 (2/2182) fanjiayun 2022-10-02 2023-08-07 20:45:58 by mhsyzhr
[Gaussian] gaussian 16W 打开gif文件显示报错193、1400,输出文件空白,怎么解决呀 5 (3/2638) youang 2023-07-20 2023-07-31 18:56:39 by qhding
[Gaussian] [关贴]各位大神,求助windows 10操作系统的高斯09软件和配套的gaussview 20 (0/1657) maoxiao 2023-07-28 2023-07-28 14:45:27 by maoxiao
[Gaussian] 离子化合物模型构建 15 (6/2241) acerabc 2023-07-06 2023-07-08 07:57:05 by shenrenren
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