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	[Linux應 ] [已完結]Gaussian 09 Linux在 Ubuntu 10.04下裝不上（運行./install沒有回應） (5/2538)	liyuanhe211 2011-05-15	2011-07-03 10:05:03 by superfan
[熱點]	材料求調劑	@taotao 2026-03-24	剛剛
	[Gaussian] [已完結]請問甲酸鉀HCOOK的電荷數、自旋多重度分別是0、1嗎 (1/327)	西瓜霜 2011-07-03	2011-07-03 09:55:05 by zhou2009
	[ChemOff ] [已完結]求助chem3D溶質與溶劑對接問題 (1/532)	飯飯316 2011-07-01	2011-07-02 20:49:16 by sobereva
	[Gaussian] [已完結]在關核獨立化學位移輸出結果的問題 (5/828)	liuzhengjun0427 2011-07-02	2011-07-02 15:23:25 by liuzhengjun0427
	[Gaussian] [已完結]從check文件讀取錯誤 (1/745)	zq5536 2011-06-30	2011-07-02 10:56:26 by fatpig8832
	[Gaussian] [已完結]高斯優(yōu)化求助 (7/1698)	鋒線殺手 2011-06-30	2011-07-02 10:16:17 by yongleli
	[Gaussian] [已完結]體系電導性怎么求啊，是將其中的各原子電導性相加嗎 (0/208)	liuy1235 2011-07-02	2011-07-02 09:24:45 by liuy1235
	[Gaussian] [已完結]中間體優(yōu)化不到 (8/1763)	aimonkey 2011-06-01	2011-07-01 20:59:18 by wslnwzj
	[量化新手 ] [已完結]ESIPT求助 (0/278)	鋒線殺手 2011-07-01	2011-07-01 20:43:37 by 鋒線殺手
	[量化新手 ] [已完結][關貼]關于量子化學計算的疑問 (1/279)	jingetiema61 2011-07-01	2011-07-01 15:37:29 by 375642546
	[Gaussian] [已完結]有用Gaussian計算CASSCF/CASPT2的嗎？功能怎么樣？ (1/1745)	chinayhb 2011-07-01	2011-07-01 12:22:51 by beefly
	[量化圖形 ] [已完結]求DS ViewerPro 6.0軟件，非常感謝 (3/1124)	lren 2011-05-16	2011-07-01 10:57:58 by lren
	[Gaussian] [已完結]我是一個初學者，請問如何進行激發(fā)態(tài)優(yōu)化？謝謝 (2/663)	lvjinru 2011-06-13	2011-07-01 08:55:37 by lvjinru
	[Gamess/ ] [已完結]GAMESS輸入文件求助 (8/2147)	akikucoco 2011-06-25	2011-06-30 21:55:31 by beefly
	[Gaussian] [已完結]誰用CIS算過激發(fā)態(tài)，請給我例子 (金幣≥1)(1/52)	kathy2008 2011-06-28	2011-06-30 20:01:48 by 鋒線殺手
	[量化圖形 ] [已完結]請問這種圖是用什么軟件畫的？ (1/766)	luohubin 2011-06-09	2011-06-30 14:53:05 by pevil
	[Gaussian] [已完結]新手求助：這個問題能不能用Gaussian處理 (4/837)	PBHU 2011-06-29	2011-06-29 11:20:46 by PBHU
	[Gaussian] [已完結]緊急求助，誰能幫我優(yōu)化一個分子，關于氫鍵的 ( 1 2 ) (12/2296)	bingdieduwu 2011-06-27	2011-06-29 08:40:19 by bingdieduwu
	[Gaussian] [已完結]三個問題，b3lyp過渡態(tài)，nbo能量單位以及CCSD(T) (4/1585)	亍寞 2011-06-28	2011-06-29 06:38:37 by 亍寞
	[其他] [已完結]求含氮雜環(huán)給體分子 (4/484)	liuy062 2011-06-27	2011-06-29 03:40:37 by mchen10
	[Gaussian] [已完結]求助文獻一篇 (0/275)	maomaotu9315 2011-06-28	2011-06-28 15:55:37 by maomaotu9315
	[Gaussian] [已完結]gaussian 和gaussian view (金幣≥1)(5/98)	20081130071 2011-06-26	2011-06-27 22:57:09 by 20081130071
	[Gaussian] [已完結]GaussView-5.0 UV-Vis 光譜的單位是什么？ (1/852)	tandz 2011-06-27	2011-06-27 22:03:00 by beefly
	[Gaussian] [已完結]想求助一篇關于HF成分對于重組能計算準確性的影響的文章 (1/532)	冰bingice 2011-06-27	2011-06-27 10:16:52 by gyredli
	[Gaussian] [已完結]錯誤L303求大家?guī)兔栴}出在哪里，如何解決！ (0/426)	realmanster 2011-06-27	2011-06-27 09:23:34 by realmanster
	[Molpro/ ] [已完結]我想學學如何做旋規(guī)耦合 (3/1203)	xiaosui1982 2011-05-07	2011-06-26 21:42:20 by m_luyan
	[Gaussian] [已完結]linux下gaussian和gview的操作指南 (0/793)	baldeagle109 2011-06-26	2011-06-26 10:14:17 by baldeagle109
	[量化新手 ] [已完結]請教大家關于速率常數的計算問題 (0/986)	efeyer 2011-06-20	2011-06-25 16:20:16 by efeyer
	[Gamess/ ] [已完結]fragment molecilar orbital method 問題 (0/415)	YJY1234 2011-06-22	2011-06-25 16:19:46 by YJY1234
	[Molpro/ ] [已完結]請教Molpro中基組加彌散函數的問題 (0/870)	major016 2011-06-17	2011-06-25 16:19:21 by major016
	[Gaussian] [已完結]BSSE輸入文件出現警告 (0/480)	小白如水 2011-06-25	2011-06-25 16:11:43 by 小白如水
	[Gaussian] [已完結]幫俺做個優(yōu)化吧，俺怎么老出錯？ (1/268)	polyhedral 2011-06-25	2011-06-25 12:23:57 by fatpig8832
	[Gaussian] [已完結]能用高斯優(yōu)化指定某個原子帶電荷的離子么？ (9/3620)	Swunlly 2011-04-27	2011-06-25 11:11:25 by yongleli
	[Gaussian] [已完結]求助 Gaussian計算非諧性頻率出錯 (0/188)	xixi1007 2011-06-25	2011-06-25 09:28:44 by xixi1007
	[Gaussian] [已完結]用一臺服務器計算需要Linda嗎？ (4/752)	zhongcm 2011-06-14	2011-06-24 17:56:03 by blueybz
	[Gaussian] [已完結]關于gaussian計算分子Harmonic 與 Anharmonic frequency的請教？ (1/565)	shuo2008 2011-06-23	2011-06-24 01:11:04 by zpppanda111
	[量化新手 ] [已完結]關于ModRedundant coordinate (5/1673)	llong 2011-05-09	2011-06-23 19:52:14 by 我的未來bsm
	[Gaussian] [已完結]關于頻率計算，求教 (0/312)	rjhs 2011-06-23	2011-06-23 16:47:01 by rjhs
	[Gaussian] [已完結]IRC計算沒收斂 (9/1705)	rock0927 2011-06-22	2011-06-23 16:12:45 by rock0927
	[Gaussian] [已完結]求助gaussview3.09在linux下的安裝文件 (1/376)	baldeagle109 2011-06-23	2011-06-23 14:58:51 by 獨孤狼
	[Gaussian] [已完結]opt=TS 循環(huán)步驟問題 (7/2776)	亍寞 2011-06-23	2011-06-23 14:56:55 by 亍寞
	[Gaussian] [已完結]求助diffusion functional 的含義 (6/657)	bingdieduwu 2011-06-22	2011-06-23 12:39:57 by bingdieduwu
	[Gaussian] [已完結]高斯錯誤代碼是1804，這是什么原因��？ (2/604)	Captain-Jack 2011-06-21	2011-06-23 10:52:27 by Captain-Jack
	[Gaussian] [已完結]高斯并行求助 (2/677)	flowers123 2011-04-30	2011-06-23 10:29:15 by flowers123
	[Gaussian] [已完結]Zindo 的計算范圍是多大？第四周期能算嗎 (1/361)	vallen 2011-06-22	2011-06-22 21:50:09 by beefly
	[Gaussian] [已完結]請問審稿人意見如何回答？ (7/1715)	lorna639 2011-06-20	2011-06-22 19:18:46 by lorna639
	[Gaussian] [已完結]gaussian03計算出的拉曼光譜數據怎么在orgin中作圖？ (6/2520)	iacwj03 2011-06-13	2011-06-22 10:56:45 by yhaih52
	[其他] [已完結]charging free energies 是什么意思 (0/390)	sunxy20002 2011-06-21	2011-06-21 17:31:04 by sunxy20002
	[Gaussian] [已完結]求助用G98算一個結構的單點能 (8/1086)	zln1987 2011-06-20	2011-06-21 16:34:37 by 獨唱團
	[其他] [已完結]不知發(fā)這里合適不？求富勒烯C82的isomer (5/1032)	chenweiguang 2011-06-20	2011-06-21 15:26:01 by bay__gulf
	[Gaussian] [已完結]如何用chk文件繼續(xù)計算 (3/2104)	herarysara 2011-06-20	2011-06-21 15:12:19 by herarysara
	[Gaussian] [已完結]幫我計算下這兩個分子的HOMO,HOMO+1，LUMO,LUMO+1吧，謝謝 (8/1592)	yehuoo 2011-06-21	2011-06-21 13:27:11 by gmy1990
	[Gaussian] [已完結][關貼]計算頻率出錯 (0/294)	flash8407 2011-06-21	2011-06-21 09:40:23 by flash8407
	[Gaussian] [已完結]高斯中的ONIOM是什么意思 (1/1669)	hxtlc 2011-06-21	2011-06-21 09:38:45 by 獨孤狼
	[Gaussian] [已完結]高斯中每個振動的約化質量是如何計算出來的 (4/2817)	liuyusuc 2011-06-18	2011-06-20 18:05:24 by liuyusuc
	[Gaussian] [已完結]偶極矩向量M的對稱性 (評閱+100) (7/917)	gmy1990 2011-06-20	2011-06-20 16:08:11 by gmy1990
	[Gaussian] [已完結]過渡態(tài)查找 (4/530)	rulongxu 2011-06-20	2011-06-20 10:24:21 by 獨孤狼
	[Gaussian] [已完結]量化反應 (1/442)	herarysara 2011-06-20	2011-06-20 10:19:58 by 獨孤狼
	[Gaussian] [已完結]怎么用高斯算激發(fā)態(tài)? (3/849)	kekemi_1127 2011-06-14	2011-06-19 22:29:40 by kekemi_1127
	[Gamess/ ] [已完結]gamess_運行unset echo怎么解決 (2/700)	xiaowu787 2011-06-19	2011-06-19 21:33:33 by xiaowu787
	[Gaussian] [已完結]求助Gaussian 03計算問題 (1/473)	flyqzy 2011-06-19	2011-06-19 21:01:40 by 獨孤狼
	[ADF/Dal ] [已完結]求助：如何分析多原子分子間所形成的化學鍵（而不是分子軌道）的原子軌道成分 (1/529)	lipeng87 2011-06-19	2011-06-19 21:00:33 by 獨孤狼
	[Gaussian] [已完結]過渡態(tài)計算出錯 (5/1719)	rock0927 2011-06-17	2011-06-19 12:01:35 by aimonkey
	[量化新手 ] [已完結]求助諧振頻率與非諧振頻率 (1/860)	shinee 2011-06-18	2011-06-18 18:18:12 by racoon01
	[其他] [已完結]求一個解薛定諤方程的程序（有鏈接） (3/1346)	wjwang123 2011-06-18	2011-06-18 17:49:01 by 761479235
	[Gaussian] [已完結]TD優(yōu)化激發(fā)態(tài) (3/490)	sjjnew101 2011-06-14	2011-06-17 23:57:43 by zhangmt
	[Gaussian] [已完結]ONIOM的Error imposing constraints錯誤 (6/1985)	cj4566 2011-06-16	2011-06-17 15:13:55 by 冬天里的驕陽
	[Gaussian] [已完結]求Gaussian linux下過渡態(tài)搜索輸入文件例子 (4/1534)	herarysara 2011-06-16	2011-06-17 14:49:07 by 獨孤狼
	[Gaussian] [已完結][關貼]環(huán)糊精與藥物模擬 (6/1549)	天下楓葉 2011-05-29	2011-06-17 14:23:43 by 飯飯316
	[NBO/AIM] [已完結]有cif晶格圖，怎么用高斯或者AIM計算熱力學函數額 (金幣≥1)(1/60)	wynli 2011-06-17	2011-06-17 14:12:44 by yongleli
	[Gaussian] [已完結]激發(fā)態(tài)電荷分布 (1/699)	4010808 2011-06-17	2011-06-17 14:08:11 by yongleli
	[Gaussian] [已完結]如何構建一個合理的C2v的結構 (金幣≥1)(7/68)	kathy2008 2011-06-17	2011-06-17 12:29:01 by kathy2008
	[量化圖形 ] [已完結]這種圖（相互交叉的平面）用什么畫 (4/1125)	wjwang123 2011-06-16	2011-06-17 11:20:29 by xuhu_11
	[Gaussian] [已完結]電離能相關文獻 (0/455)	lyy880530 2011-06-17	2011-06-17 11:01:38 by lyy880530
	[Gaussian] [已完結]計算出現內存讀取錯誤 (2/273)	rock0927 2011-06-16	2011-06-16 22:16:36 by gmy1990
	[Gamess/ ] [已完結]fragment molecilar orbital method 方法 (6/1641)	YJY1234 2011-06-11	2011-06-16 14:43:44 by toyidi
	[Gaussian] [已完結]誰能教我這個怎么用高斯計算？ (1/311)	dxbddpc 2011-06-16	2011-06-16 13:48:44 by 獨唱團
	[Gaussian] [已完結]有關高斯計算中頻率和零點能矯正因子的設置 (0/1956)	jdztcxy 2011-06-13	2011-06-16 12:58:55 by jdztcxy
	[Gaussian] [已完結]硝基苯中硝基對苯基的影響 (金幣≥1)(1/28)	kathy2008 2011-06-15	2011-06-15 21:29:13 by gmy1990
	[Gaussian] [已完結]求助：五唑的生成熱文獻 (0/245)	survivor9099 2011-06-15	2011-06-15 21:08:08 by survivor9099
	[Gaussian] [已完結]CaO晶體優(yōu)化L401錯誤Dimensions of /B2/ exceeded in AtP2B2. (1/1543)	liyuanhe211 2011-05-26	2011-06-15 20:40:58 by 水清而深
	[Gaussian] [已完結]軌道圖中的正號和負號是怎么來的 (金幣≥1)(1/53)	kathy2008 2011-06-15	2011-06-15 20:05:16 by 獨孤狼
	[Gaussian] [已完結]linux下如何在輸入文件中設置收斂條件 (3/647)	herarysara 2011-06-14	2011-06-15 13:31:16 by yongma2008
	[Gaussian] [已完結]兄弟們，誰知道Gaussian03中這幾個詞是什么意思啊 (8/2024)	lilu1426 2011-06-14	2011-06-15 12:55:05 by zhangmt
	[Gaussian] [已完結]求Gaussian ia64版的 (1/228)	lilu1426 2011-06-15	2011-06-15 12:21:33 by 小紅豆
	[Gaussian] [已完結]結構優(yōu)化中問題 (6/1879)	charityqi 2011-06-10	2011-06-15 08:51:21 by manson1998
	[Gaussian] [已完結][關貼]wiberg bond index 說明鍵的強弱 (5/2635)	wcz2008 2011-06-13	2011-06-14 23:05:28 by tiechong
	[Gaussian] [已完結]請問有人知道怎樣計算配合物基態(tài)的氧化電勢，急用！如果解決了再送50金幣 ( 1 2 ) (11/1667)	linyanglin 2011-06-10	2011-06-14 15:35:22 by linyanglin
	[量化新手 ] [已完結]能算一個分子中某個鍵的HOMO,LUOMO么 (4/1000)	conan3020 2011-06-13	2011-06-14 14:02:07 by conan3020
	[Gaussian] [已完結]求linux下Gaussian 09的輸入文件一個 (4/925)	herarysara 2011-06-13	2011-06-14 09:22:33 by herarysara
	[Gaussian] [已完結][關貼]求助Si9H12簇的gaussian03的軟件的gif和log文件 (0/183)	wsyfenglang 2011-06-14	2011-06-14 08:41:09 by wsyfenglang
	[Gaussian] [已完結]gaussian09輸入文件 (8/3025)	herarysara 2011-06-13	2011-06-13 18:53:01 by kaegi
	[Gaussian] [已完結][關貼]orbital phase(MO shape) (金幣≥1)(0/28)	kathy2008 2011-06-13	2011-06-13 14:36:29 by kathy2008
	[Gaussian] [已完結]L9999 報錯 (4/948)	XYLF 2011-06-13	2011-06-13 13:20:02 by XYLF
	[Gaussian] [已完結]分子結構優(yōu)化 (8/2301)	rock0927 2011-06-12	2011-06-13 12:30:34 by rock0927
	[Gaussian] [已完結]EOMCCSD算激發(fā)態(tài)，能量為負值 (4/1450)	劉志凌 2011-06-12	2011-06-13 11:51:58 by beefly
	[Gaussian] [已完結]請問ClO4-與BF4-這兩個陰離子哪個的電荷離域程度更高？ (0/444)	il701 2011-06-13	2011-06-13 10:18:45 by il701
	[Gaussian] [已完結]gaussian09－linux－64安裝問題 (7/1719)	herarysara 2011-06-11	2011-06-13 10:04:18 by herarysara
	[Gaussian] [已完結]本人新手求助量化名詞解釋 (2/1439)	383639931 2011-06-12	2011-06-13 07:02:45 by 383639931
	[Gaussian] [已完結]化學鍵能如何計算，比如二丁基卡必醇的主要官能團的鍵能，謝謝。 (金幣≥2)(3/70)	潔云 2011-06-10	2011-06-12 16:40:22 by 奔鯊