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	[Gaussian] [已完結(jié)]勢能面掃描求助 (1/516)	飄逸313 2011-11-07	2011-11-30 14:13:25 by Captain-Jack
[熱點]	生物學(xué)一志愿985，分?jǐn)?shù)349求調(diào)劑	zxts12 2026-03-23	剛剛
	[Gaussian] [已完結(jié)]含有多Cp 環(huán)的物質(zhì)優(yōu)化虛頻去除 (1/399)	luoronggen 2011-09-16	2011-11-30 13:39:58 by 大臉偉
	[其他] [已完結(jié)]LiF (0/346)	貴在堅持 2011-11-29	2011-11-30 13:39:41 by 貴在堅持
	[其他] [已完結(jié)]過渡態(tài) (0/377)	qujinfeng 2011-11-29	2011-11-30 13:39:03 by qujinfeng
	[Gaussian] [已完結(jié)]G09中的熒光計算部分的例子，第四部分 (2/551)	Illusionist 2011-11-30	2011-11-30 11:44:44 by Illusionist
	[其他] [已完結(jié)]Minnesota 11 meta-GGA family (5/1262)	mscic 2011-11-28	2011-11-30 09:57:01 by yflchx
	[Gaussian] [已完結(jié)]怎么用gaussian計算不同激發(fā)波長下拉曼光譜 (5/1740)	iacwj03 2011-06-16	2011-11-29 19:38:47 by 香水百合519
	[Gaussian] [已完結(jié)]G09計算中斷l(xiāng)ink died (3/1122)	ldzh0531 2011-11-28	2011-11-29 11:39:28 by ldzh0531
	[ChemOff ] [已完結(jié)]能量最低計算結(jié)構(gòu) (1/782)	夢到內(nèi)河 2011-11-27	2011-11-28 21:36:33 by 中科院苦行僧
	[Gaussian] [已完結(jié)]高斯運算出錯 (0/783)	會飛的種子 2011-11-28	2011-11-28 19:52:26 by 會飛的種子
	[Gaussian] [已完結(jié)]新手求助關(guān)于G09計算小分子化合物旋光的時間問題 (0/356)	furoc 2011-11-28	2011-11-28 19:45:51 by furoc
	[量化新手 ] [已完結(jié)]分子為什么要有對稱性呢? 求高人解除痛苦 (9/1448)	northwater 2011-11-22	2011-11-28 17:01:53 by northwater
	[Gaussian] [已完結(jié)]高斯的溶劑化模型選擇？ (2/4986)	xiongb123456 2011-11-28	2011-11-28 16:19:05 by iconsdkxq7
	[其他] [已完結(jié)]0.36V vs Fc+/Fc 相對于真空能級是多少電子伏特 (0/704)	jiji851 2011-11-28	2011-11-28 15:21:40 by jiji851
	[Gaussian] [已完結(jié)]checkpoint file (2/301)	dreamyeye 2011-11-22	2011-11-28 15:12:30 by dreamyeye
	[Gaussian] [已完結(jié)]高斯03軟件基礎(chǔ)運用（gaussian03） (2/622)	cqsg1987512 2011-11-27	2011-11-28 14:23:31 by linzhongaiguo
	[Gaussian] [已完結(jié)]總是出現(xiàn)錯誤提示：Error termination in NtrErr: NtrErr Called from FileIO (5/2598)	melody_sara 2011-11-24	2011-11-28 12:46:26 by melody_sara
	[量化新手 ] [已完結(jié)]外行問題 (7/938)	383639931 2011-11-26	2011-11-28 12:29:04 by Jasminer
	[量化新手 ] [已完結(jié)]請教怎么在高斯中使用b3lyp-d方法 (6/2160)	獨唱團 2011-10-14	2011-11-28 10:07:56 by lihb734
	[Gaussian] [已完結(jié)]G09計算問題 (9/2027)	ldzh0531 2011-11-21	2011-11-28 09:54:29 by 雨晨田木
	[Gaussian] [已完結(jié)]delete (VIP≥65535)(2/36)	xiaopengs 2011-11-27	2011-11-27 21:31:10 by hlma_ustc
	[Gaussian] [已完結(jié)]怪異的虛頻 (0/252)	316087021 2011-11-27	2011-11-27 17:11:14 by 316087021
	[Gaussian] [已完結(jié)]m05-2x方法計算開殼層單態(tài)時需要用什么關(guān)鍵詞 (0/408)	licaiqin 2011-11-24	2011-11-27 10:49:10 by licaiqin
	[Gaussian] [已完結(jié)]高斯計算mulinkin電荷 (1/1185)	hoowenhao 2011-11-25	2011-11-27 10:47:30 by 阿泰斯特
	[Gaussian] [已完結(jié)]求 gaussview 的linux版 (1/373)	lyc2007 2011-11-27	2011-11-27 09:58:09 by ben_ladeng
	[量化新手 ] [已完結(jié)]想算一個有機物分子的，需要多長時間？ (2/520)	383639931 2011-11-26	2011-11-27 09:07:43 by 湯湯.
	[Gaussian] [已完結(jié)][關(guān)貼]求gaussview5.08 (3/780)	wsyfenglang 2011-11-23	2011-11-26 21:43:57 by tudoudigua
	[Gaussian] [已完結(jié)][關(guān)貼]請問高斯計算石墨烯使用哪個機組最合適？ (2/1589)	listarstar 2011-11-25	2011-11-26 18:21:29 by listarstar
	[量化圖形 ] [已完結(jié)]請問量化計算后的紫外和熒光輸出文件用什么軟件使其圖形可視化？ (2/618)	licy835 2011-11-19	2011-11-26 16:05:02 by licy835
	[Gaussian] [已完結(jié)]電子數(shù)判斷 (3/652)	可米kemi 2011-11-22	2011-11-26 14:40:48 by zhongrl898
	[Gaussian] [已完結(jié)]G09中碘的基組輸入問題 (6/2282)	ldzh0531 2011-11-24	2011-11-25 23:08:31 by wangth0921
	[其他] [已完結(jié)]請教：在集群上提交任務(wù)后無法開始運行 (4/1113)	rainandstar 2011-11-24	2011-11-25 13:43:03 by rainandstar
	[量化新手 ] [已完結(jié)]分子點群乘法表 (2/2634)	hakuna 2011-11-25	2011-11-25 13:23:56 by hakuna
	[Gaussian] [已完結(jié)]計算過渡態(tài)求助 (4/891)	liuliuji 2011-11-24	2011-11-25 12:12:08 by ryxiao
	[Gaussian] [已完結(jié)][關(guān)貼]關(guān)于BλLYP這個泛函的高斯輸入 (1/371)	yxk8712 2011-11-23	2011-11-25 10:26:44 by yxk8712
	[量化新手 ] [已完結(jié)]勢能面掃描求助 (1/569)	gebitingqin 2011-11-23	2011-11-25 09:59:36 by gebitingqin
	[Gaussian] [已完結(jié)]算偶極矩和躍遷偶極矩求助！��！ (1/1405)	1010500 2011-11-23	2011-11-25 09:00:04 by 1010500
	[Gaussian] [已完結(jié)]好心人給傳個gaussian03的例子文件夾吧！ (2/408)	蟲尾巴 2011-11-24	2011-11-24 23:32:09 by scottfreedom
	[Gaussian] [已完結(jié)]mpwb1k和mpw1k怎么運行不起來呢？ (1/838)	shc123456 2011-11-24	2011-11-24 20:33:12 by gazelle0214
	[Gaussian] [已完結(jié)]ESP怎么計算呀？ (0/1790)	shc123456 2011-11-19	2011-11-24 16:10:16 by shc123456
	[Gaussian] [已完結(jié)]delete (VIP≥65535)(8/95)	xiaopengs 2011-11-22	2011-11-24 13:05:19 by xiaopengs
	[Gaussian] [已完結(jié)][關(guān)貼]激發(fā)態(tài)優(yōu)化---能量震蕩---9999錯誤 (1/505)	心經(jīng)09 2011-09-06	2011-11-24 11:25:21 by 113865787
	[Gaussian] [已完結(jié)]用兩種方法水平分別優(yōu)化和計算贗勢的問題 (5/1018)	ldzh0531 2011-11-23	2011-11-24 11:14:47 by Jasminer
	[Gaussian] [已完結(jié)]gaussian 請求翻譯 (1/305)	chuchu6816 2011-11-24	2011-11-24 10:27:24 by xiongb123456
	[NBO/AIM] [已完結(jié)]輸入文件到301錯誤 (4/1076)	wynli 2011-11-22	2011-11-24 09:40:19 by wynli
	[Gaussian] [已完結(jié)]優(yōu)化后苯環(huán)多了兩個雙鍵，怎么回事 (6/2276)	muxiachuixue 2011-11-22	2011-11-24 00:03:28 by muxiachuixue
	[Gaussian] [已完結(jié)]審稿回復(fù)求助 (2/359)	huixia2010 2011-11-23	2011-11-23 22:56:47 by beefly
	[Gaussian] [已完結(jié)]g09中的wb97的開殼層是否是用uwb97xd形式表達？ (1/704)	ludeng8710 2011-11-23	2011-11-23 22:53:20 by hlma_ustc
	[其他] [已完結(jié)]誰會用mercury看兩個面的夾角？用四個原子確定的并不合理啊 (0/797)	wutongshun 2011-11-23	2011-11-23 20:21:54 by wutongshun
	[Gaussian] [已完結(jié)]如何人為添加基函數(shù)？？？ (0/213)	pickle116 2011-11-23	2011-11-23 19:32:10 by pickle116
	[ChemOff ] [已完結(jié)]Chem3D 中有類似GaussView ~~~~~~clean~~~~~~這個工具的鈕嗎？ (0/985)	xiaowandouer 2011-11-23	2011-11-23 19:31:39 by xiaowandouer
	[Gaussian] [已完結(jié)]勢能面掃描出現(xiàn)錯誤，求幫助 (3/1270)	gebitingqin 2011-11-14	2011-11-23 15:45:28 by gebitingqin
	[Gamess/ ] [已完結(jié)]GAMESS: ERROR! THERE ARE NOT 5 OR 6 TRANS/ROT MODES (6/1571)	fwang2011 2011-11-22	2011-11-23 13:22:52 by fwang2011
	[其他] [已完結(jié)]軌道分析 (7/1125)	convenient 2011-11-22	2011-11-23 10:18:52 by xulisonghai
	[Linux應(yīng) ] [已完結(jié)]ASUS 的Z68主板安裝Linux是否有人試過？ (3/693)	emc2 2011-11-21	2011-11-23 09:07:27 by emc2
	[Gaussian] [已完結(jié)]用TS尋找過渡態(tài)的角度旋轉(zhuǎn) (2/504)	shc123456 2011-11-22	2011-11-22 21:19:24 by shc123456
	[Gaussian] [已完結(jié)]求教TD-DFT模擬電子吸收光譜的問題 (3/1433)	風(fēng)雪江山亂 2011-11-22	2011-11-22 17:04:51 by hlma_ustc
	[Gaussian] [已完結(jié)]計算電子結(jié)構(gòu) (1/307)	muxiachuixue 2011-11-22	2011-11-22 14:43:24 by muxiachuixue
	[Gaussian] [已完結(jié)]我的輸入文件一開始就出現(xiàn)錯誤怎么辦呢、。。。。。 (6/1232)	wynli 2011-11-21	2011-11-22 09:39:43 by wynli
	[Gaussian] [已完結(jié)]用gaussian跑完過渡態(tài)，得到的IRC圖像第一個點和過渡態(tài)的能量相等，而且找了5個過渡態(tài) (1/467)	ilovesjb2000 2011-10-21	2011-11-21 16:49:16 by emmaxue
	[量化圖形 ] [已完結(jié)]求助GV輸出 (5/639)	minifish 2011-08-15	2011-11-21 16:05:37 by hsqlxsz
	[Gaussian] [已完結(jié)]redhat linux下Gaussian安裝問題--無法更改bashrc ( 1 2 ) (14/1957)	jianqin 2011-07-11	2011-11-21 15:00:42 by byin
	[Gaussian] [已完結(jié)]分子對稱性的選擇問題 (4/1650)	zhugezilong 2011-11-18	2011-11-21 13:49:37 by zhugezilong
	[NBO/AIM] [已完結(jié)]【求助】NBO的Warning�。。� (3/1117)	慢三兒 2011-10-27	2011-11-21 10:50:24 by 慢三兒
	[量化圖形 ] [已完結(jié)]金剛石圖形 (1/446)	yjr 2011-09-05	2011-11-21 10:18:35 by emmaxue
	[Gaussian] [已完結(jié)]gaussian求激發(fā)能的問題？？ ( 1 2 3 ) (22/1780)	ilxmc 2011-11-17	2011-11-21 09:32:49 by ilxmc
	[Gaussian] [已完結(jié)]求高手幫忙解釋一下是什么錯誤 (3/1121)	jwell 2011-11-20	2011-11-21 08:59:50 by jwell
	[Gaussian] [已完結(jié)]DFT是如何計算溶液的介電常數(shù)啊~~或者至少是偶極矩 (1/1182)	plafalines 2011-11-16	2011-11-20 15:47:54 by zi_cathy
	[Gaussian] [已完結(jié)]一個GAUSSIAN簡單問題，但我太鹺求助 ( 1 2 ) (11/1894)	usoado 2011-11-15	2011-11-20 11:48:08 by abdoman
	[Gaussian] [已完結(jié)]關(guān)于restart，geom=check，guess=read命令使用的問題 (8/5187)	alick_cxj 2011-11-17	2011-11-20 09:35:25 by alick_cxj
	[其他] [已完結(jié)][關(guān)貼]關(guān)于一個英文縮寫的翻譯！ (評閱-4) (4/1217)	luweiqing 2011-11-18	2011-11-19 22:20:21 by luweiqing
	[Gaussian] [已完結(jié)]CCSD怎樣計算 (1/764)	hxtlc 2011-11-19	2011-11-19 17:54:06 by thegrimreaper
	[Gaussian] [已完結(jié)]重疊布居數(shù) (7/1520)	wyhzj1987 2011-11-17	2011-11-19 11:34:38 by wyhzj1987
	[Gaussian] [已完結(jié)]ONIOM(HF/3-21G:UFF)優(yōu)化報錯 (0/729)	thanks523 2011-11-10	2011-11-19 10:32:30 by thanks523
	[Gaussian] [已完結(jié)][關(guān)貼]關(guān)于stable測試 (0/305)	luyating2005 2011-11-10	2011-11-19 10:31:57 by luyating2005
	[Gaussian] [已完結(jié)]關(guān)于吸收光譜不收斂的問題 (0/340)	graceguoying 2011-11-08	2011-11-19 10:31:30 by graceguoying
	[Gaussian] [已完結(jié)]gaussian能量掃描遇到的問題 (0/225)	liuliuji 2011-11-16	2011-11-19 10:31:06 by liuliuji
	[Gaussian] [已完結(jié)]gaussian求激發(fā)能的問題？？ (0/263)	ilxmc 2011-11-17	2011-11-19 10:30:13 by ilxmc
	[ADF/Dal ] [已完結(jié)][關(guān)貼]ADF溶劑中能量分解 (0/377)	不喜歡豆芽 2011-11-17	2011-11-19 10:29:50 by 不喜歡豆芽
	[Gaussian] [已完結(jié)]如何設(shè)置離子 (0/1126)	nwx_ky 2011-11-16	2011-11-19 10:28:56 by nwx_ky
	[其他] [已完結(jié)]金屬半導(dǎo)體薄膜，界面處，金屬原子與半導(dǎo)體原子之間怎么結(jié)合的？ (1/360)	realwz 2011-11-12	2011-11-19 10:27:56 by realwz
	[Gaussian] [已完結(jié)]Gaussian在計算化學(xué)中的應(yīng)用 (1/528)	南夕林 2011-11-18	2011-11-19 10:19:15 by zhou2009
	[Gaussian] [已完結(jié)]TD問題，求幫助！ (0/178)	tudoudigua 2011-11-19	2011-11-19 10:19:15 by tudoudigua
	[Gaussian] [已完結(jié)]離子液體優(yōu)化問題 (2/662)	ww1987 2011-08-14	2011-11-19 03:52:37 by chenjiake
	[Gaussian] [已完結(jié)]誰能教我算一個簡單離子液體的偶極矩？ (0/335)	chenjiake 2011-11-19	2011-11-19 02:11:31 by chenjiake
	[Turbomo ] [已完結(jié)]Turbomole分子動力學(xué)模擬 (0/529)	xjiao 2011-11-18	2011-11-18 22:45:57 by xjiao
	[Gaussian] [已完結(jié)]DFT理論方法的選擇及修改 (3/1931)	ldzh0531 2011-11-17	2011-11-18 15:52:42 by 小紅豆
	[Gamess/ ] [已完結(jié)]問個新手問題 gaussian計算后怎么看LUMO 和HOMO的能量 (1/1168)	luojin7653 2011-11-18	2011-11-18 14:30:25 by hlma_ustc
	[其他] [已完結(jié)][關(guān)貼]求一篇1970年Can. J. Phys上的文獻 (2/297)	xmdxn 2011-11-17	2011-11-18 12:56:15 by xmdxn
	[Gaussian] [已完結(jié)]GAUSSIAN算頻率出錯，各位指點一下，謝謝了 (6/1295)	六塊石頭 2011-11-06	2011-11-18 11:23:56 by alick_cxj
	[量化新手 ] [已完結(jié)]怎么用moleke畫分子軌道圖 (4/1710)	我是丫頭 2011-11-17	2011-11-18 09:35:09 by zhou2009
	[Gaussian] [已完結(jié)]求助各位科研高手，DZP基組輸入時怎么寫啊 (2/483)	huosuhong 2011-11-04	2011-11-17 22:32:15 by gkf高
	[量化新手 ] [已完結(jié)]stable測試的問題 (1/348)	ldzh0531 2011-11-17	2011-11-17 20:19:10 by wushidi
	[Gaussian] [已完結(jié)]RB3LYP和B3LYP有何區(qū)別 ( 1 2 ) (11/4274)	dami251 2011-10-31	2011-11-17 19:00:52 by dami251
	[Gaussian] [已完結(jié)]金屬配合物的輸入文件應(yīng)該怎么寫 (2/269)	wynli 2011-11-17	2011-11-17 18:35:26 by wynli
	[Gaussian] [已完結(jié)]關(guān)于高斯激發(fā)能計算的一個基本問題，菜鳥求助 (2/492)	hongjianga 2011-11-17	2011-11-17 16:49:27 by ilxmc
	[Gaussian] [已完結(jié)]擴散控制的反應(yīng)，研究本征動力學(xué)有什么意義？ (3/1420)	蟲尾巴 2011-11-11	2011-11-17 14:22:29 by zt_chem
	[Gaussian] [已完結(jié)]求助：吡啶基團上N原子電負(fù)性的表征 (2/556)	xiaogang06 2011-11-17	2011-11-17 11:36:58 by xubaiyuan
	[Gaussian] [已完結(jié)]我用gaussian計算irc之后，用gaussview查看了計算之后的過渡態(tài)圖形 (2/1440)	a-b-c 2011-06-21	2011-11-17 10:20:43 by emmaxue
	[Gaussian] [已完結(jié)]計算時構(gòu)型轉(zhuǎn)變，求解決方法 (1/360)	LinaInverse 2011-11-17	2011-11-17 10:16:56 by fatpig8832