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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
                          |--------仿 真 模 拟
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    [热点] 普通院校药学硕士,做合成的,感觉找不到工作 pom戴墨镜 2024-04-27 刚刚
    [Gaussian] 想学ECD计算,NMR计算,以及绘图 (19/149) Qinhaobei 2024-04-16 2024-04-16 15:36:17 by Qinhaobei
    [Gaussian] 量子化学计算方法教程    ( 1 2 ) (50/6094) 1462935101 2018-08-16 2024-04-16 07:37:27 by asher9703
    [Gaussian] Gaussian 16 用户手册【中英双语对照版】,欢迎下载使用    ( 1 2 ) (89/12983) xianxianlu 2020-04-27 2024-04-15 15:30:27 by Queyuan
    [Gaussian] 求Gaussian圣经exploring chemistry 2nd 算例 6 (1/126) 水中有明月 2024-04-14 2024-04-14 14:19:44 by paramecium86
    [Gaussian] 求助Gauss5.0.9软件包及安装手册 100 (2/183) 18794859500G 2024-03-28 2024-03-28 14:14:05 by 18794859500G
    [Gaussian] 隐式溶剂模型 10 (1/153) 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 (2/212) 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 (2/248) 小吕0413 2024-03-20 2024-03-21 09:56:02 by neweroica
    [Gaussian] Gauss View6.0分子绘图简明教程——适合初学者    ( 1 2 ) (89/7608) 叶上初阳哟 2019-02-24 2024-03-21 06:13:50 by wangzp
    [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 (2/185) 贰饱哈哈 2024-03-19 2024-03-20 10:14:16 by 贰饱哈哈
    [Gaussian] gaussian计算自带test的问题 50 (3/1243) 流浪猫小琪 2018-07-13 2024-03-19 22:23:28 by paramecium86
    [Gaussian] gaussview (2/192) 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 (1/178) 虫虫冲wa 2024-03-18 2024-03-18 10:15:46 by paramecium86
    [Gaussian] ZSM-5建模 5 (2/614) wubingfeng 2020-03-04 2024-03-13 07:19:13 by 天天进步啊
    [Gaussian] 高斯计算问题    ( 1 2 ) 30 (14/486) 666... 2024-02-27 2024-03-11 08:55:37 by xinweishi
    [Gaussian] 计算问题 20 (1/188) 666... 2024-03-09 2024-03-09 19:26:02 by paramecium86
    [Gaussian] 理论计算化学 10 (1/312) 虫虫冲wa 2024-03-03 2024-03-04 00:06:36 by paramecium86
    [Gaussian] 高斯计算问题 50 (1/276) 666... 2024-03-01 2024-03-01 21:06:47 by paramecium86
    [Gaussian] 高斯计算问题 10 (1/339) 666... 2024-02-24 2024-02-24 16:24:51 by paramecium86
    [Gaussian] 自旋多重度的计算 50 (4/527) 万事顺意北 2024-01-17 2024-01-18 15:22:52 by 万事顺意北
    [Gaussian] 求解ONIOM 报错l120 either user# or symbol already defined 5 (0/343) shouwu_he 2024-01-18 2024-01-18 14:12:25 by shouwu_he
    [Gaussian] 高斯问题 5 (1/495) 666... 2024-01-15 2024-01-15 12:06:04 by paramecium86
    [Gaussian] 求Gaussview软件 20 (2/727) 小李子来也 2020-03-28 2024-01-15 06:41:25 by mas1208ter
    [Gaussian] 高斯计算问题 10 (1/467) 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 (1/447) lujun2910 2024-01-14 2024-01-14 22:37:16 by lujun2910
    [Gaussian] 北京工业大学刘永东课题组招收2024年博士 (0/400) 蝎子莱莱hg 2024-01-12 2024-01-12 09:57:07 by 蝎子莱莱hg
    [Gaussian] 探索化学的奥秘,电子结构方法 (2/427) machunyude 2024-01-10 2024-01-11 00:28:06 by machunyude
    [Gaussian] [已完结]高斯计算问题 (4/525) 666... 2024-01-09 2024-01-10 13:51:32 by paramecium86
    [Gaussian] 高斯计算问题 50 (2/547) 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 (3/749) 03155617021 2023-11-15 2024-01-07 21:45:20 by 03155617021
    [Gaussian] TS过渡态 10 (2/595) 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 (2/1208) zhuyoucai 2023-09-01 2023-12-21 08:56:58 by 冀台村001
    [Gaussian] 柔性扫描 10 (1/681) 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 (1/737) 可以毕业吗 2023-11-21 2023-12-07 17:58:31 by 天天进步啊
    [Gaussian] 求Gaussian09/16 ,gaussview windows版本安装包 10 (7/2057) 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 (1/673) 秋风沐雨 2023-12-03 2023-12-03 23:35:05 by paramecium86
    [Gaussian] [已完结]垂直电子亲和能怎么计算 (5/753) sunday6392 2023-11-28 2023-11-29 08:08:44 by sunday6392
    [Gaussian] 计算报错 10 (1/646) 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 (2/1058) yes.and. 2023-04-21 2023-11-27 05:47:32 by 竖走的螃蟹
    [Gaussian] gaussian续算 10 (4/716) 虫虫冲wa 2023-11-24 2023-11-26 11:20:53 by 虫虫冲wa
    [Gaussian] Chemcraft软件 10 (8/1715) lzn151 2022-02-19 2023-11-20 19:14:36 by 小猪泡泡
    [Gaussian] 计算化学 (2/702) 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 (2/640) 虫虫冲wa 2023-11-11 2023-11-15 17:06:10 by 虫虫冲wa
    [Gaussian] AIE聚集态荧光理论计算 50 (4/1373) Zzu默默 2023-04-28 2023-11-14 11:47:37 by deepchem
    [Gaussian] 金属配合物DFT计算,老是出现自旋污染,怎么解决啊    ( 1 2 ) 5 (13/1660) 竖走的螃蟹 2023-06-23 2023-11-08 17:19:38 by paramecium86
    [Gaussian] 自旋多重度 10 (2/686) 虫虫冲wa 2023-11-04 2023-11-08 15:31:10 by 虫虫冲wa
    [Gaussian] 求助高斯和福井函数计算 5 (5/1390) 科研June 2023-08-22 2023-10-25 07:33:24 by linzhongaiguo
    [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 ) (92/4483) paramecium86 2020-05-09 2023-10-23 16:06:32 by yoyouu
    [Gaussian] 求win64版本的gmmx模块安装包 (38/1123) 如果没有额 2023-09-22 2023-10-10 14:49:16 by 汇算……
    [Gaussian] 势能面扫描 10 (1/867) 虫虫冲wa 2023-10-01 2023-10-06 01:25:38 by paramecium86
    [Gaussian] 量子化学基础 分子轨道 HF理论 (0/912) ZWLweilai 2023-09-30 2023-09-30 08:33:06 by ZWLweilai
    [Gaussian] 高斯计算吸附能 60 (2/1345) 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? (14/1556) 1773258 2022-10-11 2023-09-27 11:17:10 by mo春春Cc
    [Gaussian] 结构优化 5 (3/933) 虫虫冲wa 2023-09-25 2023-09-27 09:11:02 by mo春春Cc
    [Gaussian] 求助 10 (2/808) 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 (9/2260) aaq2800 2020-10-16 2023-09-18 05:07:26 by aaq2800
    [Gaussian] 求gaussview6的gmmx模块Windows版! 5 (5/1961) 山水ww 2022-12-22 2023-09-10 17:58:01 by csyy123
    [Gaussian] 2070错误 10 (1/1013) 甜甜美美zh 2023-09-08 2023-09-09 20:56:37 by paramecium86
    [Gaussian] 重组能分解 (10/776) 皮卡77 2023-09-08 2023-09-08 21:47:19 by ATLANTS
    [Gaussian] 小白不会算标准摩尔生成焓,希望大佬解惑 10 (6/2916) Hemero 2018-04-30 2023-09-04 11:20:23 by liuliuHPC
    [Gaussian] [已完结]过渡态搜索 (3/1641) myw123456 2020-11-14 2023-09-04 10:44:44 by liuliuHPC
    [Gaussian] 高斯计算caspt2 5 (3/3698) lu589 2019-03-18 2023-08-12 12:13:07 by 1234zou
    [Gaussian] 关于NPA电荷分析反应位点 5 (0/770) 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 (2/1156) 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 (3/1165) 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 (0/860) maoxiao 2023-07-28 2023-07-28 14:45:27 by maoxiao
    [Gaussian] 离子化合物模型构建 15 (6/1143) acerabc 2023-07-06 2023-07-08 07:57:05 by shenrenren
    [Gaussian] 求助,找过渡态大佬,很听劝 (5/1265) 一只鳥啊 2023-04-11 2023-07-07 06:25:46 by 陈俊飞
    [Gaussian] [已完结]有偿求助高斯计算有机小分子鎓盐的单三线态能级差的详细步骤 (5/1965) wl19911119 2020-03-17 2023-07-04 01:00:21 by paramecium86
    [Gaussian] 3s3p2d2f 收缩基组指的是什么 20 (0/705) 还想努力 2023-06-17 2023-06-17 22:12:58 by 还想努力
    [Gaussian] 关于mac版本的高斯 10 (5/2153) lastzealot 2020-10-18 2023-06-14 09:58:18 by lockey-s
    [Gaussian] Gaussian版权问题 10 (8/2684) Longzikun 2021-11-01 2023-05-28 06:13:33 by 灯火药药
    [Gaussian] 计算转移积分和重组能 20 (2/1102) 阳光下的祝福 2021-03-27 2023-05-26 06:38:59 by Dwj40520
    [Gaussian] DP4+ (1/899) 语过添情1 2021-12-28 2023-05-25 22:23:01 by Weiliang
    [Gaussian] 2023年南京大学理论与计算化学暑期学校 (0/639) guoxuehui 2023-05-23 2023-05-23 09:27:01 by guoxuehui
    [Gaussian] 谁有gaussian09W E01的版本 50 (2/787) aaq2800 2023-04-20 2023-05-22 20:37:51 by paramecium86
    [Gaussian] [已完结]TD-DFT计算结果问题 (3/739) Noiost 2023-05-19 2023-05-19 18:26:39 by paramecium86
    [Gaussian] 量子化学计算软件 (0/703) XII3049gYo 2023-05-18 2023-05-18 17:18:03 by XII3049gYo
    [Gaussian] Gaussian计算分子前线轨道能量 10 (3/739) LYCMY 2023-05-11 2023-05-12 00:20:58 by paramecium86
    [Gaussian] 求分享一个GaussView的GMMX模块的win版安装包 28 (1/698) direntian 2023-05-10 2023-05-10 15:16:17 by 山水ww
    [Gaussian] 小白发问 (4/777) shouwu_he 2023-05-09 2023-05-10 10:39:24 by shouwu_he
    [Gaussian] 高斯bomd中的randomvelocity (2/821) 皮卡77 2023-04-25 2023-05-09 19:29:30 by 皮卡77
    [Gaussian] 【求助】标准生成热Qf与Gaussian计算的标准生成焓ΔHf不对应 10 (8/1200) PBX9502 2023-05-07 2023-05-09 12:38:55 by PBX9502
    [Gaussian] NBO轨道分析 20 (1/619) 呆瓜呀呀 2023-05-08 2023-05-08 16:41:20 by 895833639
    [Gaussian] Gaussian溶剂化 10 (2/611) LYCMY 2023-05-07 2023-05-08 13:55:28 by LYCMY
    [Gaussian] 稳定性分析 10 (0/493) 661288 2023-05-05 2023-05-05 10:23:03 by 661288
    [Gaussian] 极化率 10 (2/598) 661288 2023-04-28 2023-05-01 09:27:58 by lucent
    [Gaussian] Gaussian09w在打开过程中总是自动闪退,系统是win11+锐龙u. 5 (4/813) 戒骄戒躁+ 2023-04-11 2023-04-25 15:11:59 by 895833639
    [Gaussian] Gaussian软件包 (1/746) panaggg 2023-04-07 2023-04-25 14:46:08 by 895833639
    [Gaussian] 高斯安装参考 (0/503) 895833639 2023-04-25 2023-04-25 11:43:39 by 895833639
    [Gaussian] 高斯 5 (2/497) 啵啵是大哥 2023-04-23 2023-04-24 08:44:46 by 啵啵是大哥
    [Gaussian] [已完结]这个怎么解决,遇到很多次了 (5/778) 虚心学习的 2023-04-13 2023-04-15 08:27:22 by paramecium86
    [Gaussian] 结构优化出现2070错误 10 (3/1288) 661288 2023-04-12 2023-04-14 03:12:06 by paramecium86
    [Gaussian] 本科毕设Gaussian的DFT一般计算多久算正常时间 10 (2/1219) LYCMY 2023-03-21 2023-04-11 19:32:17 by 王王犁
    [Gaussian] 请教各位大神,怎么计算金属配位聚合物一个配位单元的LUMO和HOMO (23/1222) JYJ0425 2023-03-15 2023-03-24 10:48:42 by 云在青天
    [Gaussian] [已完结]算103个原子结构优化要多久    ( 1 2 ) (12/1624) 601的大王 2022-05-08 2023-03-16 10:28:34 by EsperanzaM
    [Gaussian] [已完结]求助:ST能量计算在914.Exe阶段终止,是否是内存问题,如何解决? (4/610) Noiost 2023-03-14 2023-03-15 14:47:46 by Noiost
    [Gaussian] CCSD(T)算单点时HF不收敛,但是HF直接算单点收敛 66 (1/534) youxx189 2023-03-14 2023-03-15 09:49:37 by paramecium86
    [Gaussian] 更新Exploring Chemistry with Electronic Structure Method_中英文第二版第三版网盘    ( 1 2 ) (61/1385) paramecium86 2020-03-21 2023-03-12 10:37:34 by paramecium86
    [Gaussian] 高斯软件如何看剩余计算时间 (3/638) sth001 2023-03-07 2023-03-11 03:08:14 by paramecium86
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