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	[Gaussian] [已完結]請問gjf文檔中設置運算核數(shù)的命令是什么？ (5/822)	bbc123321 2011-12-28	2011-12-29 09:23:53 by zhou2009
[熱點]	【同濟軟件】軟件（085405）考研求調劑	2026eternal 2026-03-23	剛剛
	[Gaussian] [已完結]對于高斯運算。頻率和核心數(shù)一樣的情況下，6核心cpu好還是8核心的？還是都一樣。 (4/1586)	Illusionist 2011-12-08	2011-12-29 09:12:22 by 風間的記憶
	[Gaussian] [已完結]激發(fā)態(tài)計算 (5/748)	kingleaves 2011-12-22	2011-12-28 21:56:10 by tomhy
	[Linux應 ] [已完結][關貼]rpm包安裝，signature NOKEY問題 (1/376)	hakuna 2011-12-27	2011-12-28 20:57:16 by hakuna
	[Gaussian] [已完結][關貼]磁距怎么計算，拜求指教 (1/652)	偉明 2011-12-26	2011-12-28 15:38:56 by onlyhappy
	[Gaussian] [已完結]請問在Gaussian計算中怎樣考慮弱相互作用？ ( 1 2 3 ) (23/2913)	helitrope 2011-11-04	2011-12-28 12:42:28 by zhangmt
	[Gaussian] [已完結]過渡態(tài) ( 1 2 ) (11/2108)	靜水四葉草 2011-12-25	2011-12-28 12:00:25 by zhangmt
	[Linux應 ] [已完結]linux條件下的高斯計算 (8/2085)	lm214019 2011-10-26	2011-12-28 11:36:11 by nyzhaoyin
	[Linux應 ] [已完結]改錯命令 (2/719)	lm214019 2011-12-06	2011-12-28 11:24:03 by MVP41
	[量化新手 ] [已完結]求高手指導，三分子體系幾何結構優(yōu)化 (1/394)	蟲尾巴 2011-12-27	2011-12-28 11:10:38 by 蟲尾巴
	[Gaussian] [已完結]K Zn 化合物能否用6-311+G（d,p）基組優(yōu)化結構？ (1/404)	劉夢 2011-12-27	2011-12-28 09:42:27 by 雨晨田木
	[Gaussian] [已完結]新手求問關于勢能面柔性掃描的問題 (2/756)	愛克勞德殿 2011-12-25	2011-12-27 21:54:37 by 愛克勞德殿
	[Gaussian] [已完結]三階力常數(shù) (0/1176)	newton3915 2011-12-27	2011-12-27 21:03:21 by newton3915
	[Gaussian] [已完結]兩吥吩環(huán)面呈夾角的優(yōu)化 ( 1 2 ) (11/1301)	slay3 2011-12-23	2011-12-27 21:01:42 by oyljw
	[Gaussian] [已完結]如何用GaussView搭建分子間氫鍵模型 (1/1978)	tnfcqsl 2011-12-26	2011-12-27 20:51:08 by zhou2009
	[Gaussian] [已完結]TZV(2d,2p)基組大小 (2/546)	baoyuan6969 2011-12-22	2011-12-27 20:40:14 by baoyuan6969
	[ADF/Dal ] [已完結]求助：ADF linux下面計算結構優(yōu)化出錯關機 (3/689)	nh13 2011-12-26	2011-12-27 19:57:16 by nh13
	[Gaussian] [已完結]td優(yōu)化結構老是出現(xiàn)這些，一直不收斂·····求教大俠 (5/1440)	Illusionist 2011-12-13	2011-12-27 16:29:18 by Illusionist
	[Gaussian] [已完結]求問壇子里下載的g03 E01版本現(xiàn)在可以運行了但是。。。。 (3/509)	nyzhaoyin 2011-12-26	2011-12-27 15:31:53 by aimonkey
	[Gaussian] [已完結]這種圖怎么做的 (2/553)	幽田雙凈 2011-12-19	2011-12-27 15:02:37 by sobereva
	[Gaussian] [已完結]請教運用g03計算水相中化學反應焓的計算 (1/624)	mjli 2011-12-27	2011-12-27 13:25:12 by mjli
	[Gaussian] [已完結]求助吉大理化所的Gaussian軟件 (5/1125)	yanghm800327 2011-12-26	2011-12-27 10:25:08 by yqzhang6518
	[Gaussian] [已完結]不知道這個現(xiàn)象正常嗎 (1/243)	nyzhaoyin 2011-12-27	2011-12-27 09:31:40 by abbott
	[Gaussian] [已完結]雙原子分子的anharmonic性質 (0/538)	newton3915 2011-12-27	2011-12-27 09:27:51 by newton3915
	[Gaussian] [已完結]求助關于DOS的問題 (8/1005)	偉明 2011-11-23	2011-12-27 08:25:45 by 偉明
	[Gaussian] [已完結]gaussian 09 做好輸入文件后總是關聯(lián)不上，總說找不到文件，請高手指點！ ( 1 2 ) (16/3356)	luqin500 2011-12-21	2011-12-27 08:10:37 by zhang7311
	[量化新手 ] [已完結]反鐵磁耦合中的各種態(tài) (3/809)	dreamyeye 2011-12-26	2011-12-27 07:37:16 by yqzhang6518
	[量化新手 ] [已完結]菜鳥求助：CH+的自旋多重度為多少？最好解釋一下，謝謝！ (0/598)	Lau_Yuen 2011-12-26	2011-12-26 20:56:58 by Lau_Yuen
	[量化新手 ] [已完結]求助β(-2ω,ω,ω)和β(-ω,ω,0)中分量βx,βy和βz的求解表達式 (0/374)	lixue510 2011-12-26	2011-12-26 16:18:59 by lixue510
	[Gaussian] [已完結]Condensed to atoms (all electrons): (3/801)	wyhzj1987 2011-12-23	2011-12-26 11:38:11 by wyhzj1987
	[Gaussian] [已完結]H鍵計算鍵能 (0/636)	phbgp 2011-12-22	2011-12-26 10:25:29 by phbgp
	[Gaussian] [已完結]Gaussian 加電場遇到計算方法的困難 (0/528)	liangshash 2011-12-26	2011-12-26 10:15:52 by liangshash
	[其他] [已完結]求教：為什么有的原子核有自旋現(xiàn)象，有的沒有？ (0/2571)	Emmar8139 2011-12-26	2011-12-26 10:11:47 by Emmar8139
	[量化新手 ] [已完結]各類近似密度泛函（LDA/GGA....等）的意義或優(yōu)缺點。 (2/5628)	gkf高 2011-12-24	2011-12-26 09:43:37 by yjcmwgk
	[Molpro/ ] [已完結]molpro 運行出錯，請教高手幫幫忙哈 (0/420)	xinandaxue 2011-12-25	2011-12-25 15:52:13 by xinandaxue
	[其他] [已完結]BSSE相關計算問題 (0/303)	suiyitx 2011-12-21	2011-12-25 09:19:43 by suiyitx
	[Molpro/ ] [已完結]CAS可以進行離子基態(tài)（D0）的構型優(yōu)化嗎？ (0/279)	suosuosky 2011-12-22	2011-12-25 09:17:18 by suosuosky
	[量化新手 ] [已完結]氧分子的薛定諤方程表達式以及各項的物理意義？ (0/596)	herr77 2011-12-23	2011-12-25 09:16:26 by herr77
	[Gaussian] [已完結]一個奇特的問題求助一下 (2/365)	nyzhaoyin 2011-12-24	2011-12-24 23:16:13 by beefly
	[Gaussian] [已完結]求助如何在Gaussian計算中對體系加外電場 (2/537)	fengshiquan 2011-12-21	2011-12-24 22:31:30 by yumu0411
	[Gaussian] [已完結]高斯求助 (5/636)	ericlee99 2011-12-23	2011-12-23 15:46:18 by MVP41
	[Gaussian] [已完結]Li Na K Zn 金屬有機化合物能否用6-31G 基組？ (6/1705)	蘇遠亭 2011-12-23	2011-12-23 15:02:50 by jiewei
	[量化新手 ] [已完結]關于在Linux集群上計算的問題 (2/498)	hailiutu116 2011-12-23	2011-12-23 11:31:27 by 風間的記憶
	[Gaussian] [已完結]金屬卟吩電荷數(shù) 和單電子數(shù) 怎么判斷 (1/921)	slay3 2011-12-22	2011-12-23 09:09:05 by zhou2009
	[量化新手 ] [已完結]chk提取數(shù)據(jù) (3/366)	ldzh0531 2011-12-21	2011-12-22 22:49:32 by chuanan027
	[Gaussian] [已完結]CP校正的必要性？ (8/1837)	亍寞 2011-05-27	2011-12-22 16:33:26 by baoyuan6969
	[Gaussian] [已完結][關貼][急求]搜索過渡態(tài)時，基組選擇對頻率影響的問題 (5/1085)	慢三兒 2011-12-12	2011-12-22 15:44:57 by Jasminer
	[Gaussian] [已完結]請教關于馬庫斯理論中的“轉移積分”的計算問題~~~~~謝謝�。� ( 1 2 ) (10/2043)	erinic 2011-09-01	2011-12-22 15:37:06 by 玉面小飛龍
	[Gaussian] [已完結]在離子優(yōu)化時，出現(xiàn)鍵的斷裂 (6/1028)	wangxp-200806 2011-12-20	2011-12-22 12:16:33 by wolfzhong
	[Gamess/ ] [已完結]NBO 5.0 on Gamess 2011編譯出現(xiàn)的問題…… (6/894)	寒雨人生 2011-12-18	2011-12-22 11:50:10 by 寒雨人生
	[Gaussian] [已完結]有關bsse校正 (4/880)	hlq3175 2011-12-21	2011-12-22 10:33:54 by lxying
	[Gaussian] [已完結]求助gauss view軟件 (1/557)	Jeremiad 2011-12-19	2011-12-22 00:01:33 by lyc2007
	[Gaussian] [已完結]從ccdc那里所要的txt文件怎樣轉化為高斯計算用的gjf文件 (1/599)	sunzhiguo 2011-12-21	2011-12-21 18:55:10 by jiewei
	[Gaussian] [已完結]詢問：gaussview中DFT/CAM-B3LYP基組設定問題 (1/1076)	dxyan 2011-12-21	2011-12-21 15:19:38 by lihb734
	[Gaussian] [已完結]氫鍵計算 (3/572)	phbgp 2011-12-15	2011-12-21 15:12:04 by yzwyxnb
	[其他] [已完結]含氟氫鍵的文章 (0/474)	chaowen1314 2011-12-21	2011-12-21 11:53:15 by chaowen1314
	[Gaussian] [已完結][關貼]求苯的分子軌道能級（molecular orbital binding energies for benzene） (8/1783)	zhouman2012 2011-12-17	2011-12-21 10:01:24 by zhouman2012
	[Gaussian] [已完結]OH radical frequency(OH基的振動頻率) (0/338)	Miracle922 2011-12-20	2011-12-20 22:44:07 by Miracle922
	[Gaussian] [已完結]找過渡態(tài)幾個大概有幾類方法 (7/1316)	ryxiao 2011-12-18	2011-12-20 21:53:25 by ryxiao
	[Gaussian] [已完結]在linux系統(tǒng)下打不開chk文件 (6/2595)	beipiao616 2011-12-19	2011-12-20 19:38:23 by iconsdkxq7
	[Gaussian] [已完結]氫鍵 (4/941)	phbgp 2011-11-08	2011-12-20 15:53:59 by phbgp
	[Gaussian] [已完結]請教有機鹽類計算問題 (0/354)	shishi722 2011-12-20	2011-12-20 10:49:55 by shishi722
	[其他] [已完結][font=宋體]請問哪里可以查到Au(100),Pd(100)面的表面自由能[/font] (0/279)	caiying.xx 2011-12-20	2011-12-20 10:14:59 by caiying.xx
	[Gaussian] [已完結]最高占據(jù)軌道和最低占據(jù)軌道的能隙怎么算 (1/2281)	幽田雙凈 2011-12-19	2011-12-19 23:55:47 by 中科院苦行僧
	[Multiwfn] [已完結]請教一個問題，multiwfn 軟件是否可以作σ和pi ELF分析 (2/585)	gjchang591 2011-12-19	2011-12-19 21:18:06 by gjchang591
	[Gaussian] [已完結]gaussian能否進行動力學分析 (0/480)	ldzh0531 2011-12-19	2011-12-19 21:10:05 by ldzh0531
	[Gaussian] [已完結]求助氫鍵計算 (3/1420)	李東奇 2011-12-18	2011-12-19 20:38:02 by haiyingli
	[Gaussian] [已完結]征人計算反應速率 (0/198)	zhangzf01 2011-12-19	2011-12-19 18:59:40 by zhangzf01
	[其他] [已完結]求momoFCF的安裝步驟和軟件，謝謝！ (4/775)	redriverUU 2011-12-16	2011-12-19 14:55:48 by redriverUU
	[其他] [已完結]Adsorption of NO on Au atoms and dimers supported on MgO(100): DFT studies (0/203)	agoniago 2011-12-19	2011-12-19 13:44:37 by agoniago
	[ADF/Dal ] [已完結]ADF算能量分解基組設置問題 (1/548)	liuzhengjun0427 2011-12-18	2011-12-19 12:33:36 by cindylove
	[Gaussian] [已完結]硬度 (0/202)	fangjiang 2011-12-19	2011-12-19 11:17:27 by fangjiang
	[Gaussian] [已完結]關于scan和TS的計算量 (0/547)	luojin7653 2011-12-19	2011-12-19 11:02:15 by luojin7653
	[量化新手 ] [已完結]1-己烯和環(huán)己烯上雙鍵的鍵級數(shù)據(jù)？ (0/754)	454924799 2011-12-19	2011-12-19 00:40:01 by 454924799
	[Gaussian] [已完結]麻煩各位大俠幫我看看這個是什么問題造成的，小弟不勝感激 (4/1837)	gujing136 2011-12-13	2011-12-18 21:00:58 by 409123976abc
	[Gaussian] [已完結]請求高手的幫助！謝謝！ (1/218)	wangchenju 2011-12-15	2011-12-18 20:59:57 by scottfreedom
	[Gaussian] [已完結]同一個催化可逆反應，高斯計算反應速率常數(shù)，可否判斷不同催化劑活性大小 (2/1290)	liujodan 2011-12-06	2011-12-18 20:55:18 by meteoric30
	[其他] [已完結]PCCP的word模板 (0/451)	快樂至上7868 2011-12-18	2011-12-18 18:00:28 by 快樂至上7868
	[Gamess/ ] [已完結]量化文獻報告求助 (3/1211)	echo8976 2011-12-18	2011-12-18 16:08:28 by echo8976
	[Gaussian] [已完結]gaussian計算完后有一個虛頻 (2/622)	luojin7653 2011-12-17	2011-12-18 14:55:48 by 冬天里的驕陽
	[Gaussian] [已完結]尋找過渡態(tài)一直出錯，焦頭爛額中 ( 1 2 ) (13/1961)	janetin 2011-11-03	2011-12-18 12:18:27 by zyj2005010
	[量化新手 ] [已完結]A+B=C形式的反應尋找過渡態(tài)的困惑 (1/413)	yueronly12 2011-12-18	2011-12-18 09:38:16 by dreamyeye
	[NBO/AIM] [已完結]AIM如何截圖啊 (3/741)	wynli 2011-12-17	2011-12-18 09:17:21 by wynli
	[量化圖形 ] [已完結]請問是有兩種PDB格式么？ (2/890)	spearous 2011-12-17	2011-12-18 03:55:56 by spearous
	[Gaussian] [已完結]CS2 計算freq時出現(xiàn)l510的錯誤，請高手指點 (1/514)	1035785633 2011-12-16	2011-12-17 20:37:39 by phys
	[Gaussian] [已完結]求助激發(fā)態(tài)頻率計算問題 (4/1064)	hxq2592843 2011-12-16	2011-12-17 16:11:23 by mchen10
	[Gaussian] [已完結]求教圖片中字母的意義 (1/322)	tccc123 2011-12-17	2011-12-17 15:00:46 by lihb734
	[Gamess/ ] [已完結]提取HESSIAN計算后的結果(GAMESS_US) (1/547)	fwang2011 2011-12-16	2011-12-17 02:41:15 by fwang2011
	[量化新手 ] [已完結]ECD怎么確定絕對構型 (2/1451)	chenrly 2011-12-13	2011-12-17 00:48:14 by chenrly
	[量化新手 ] [已完結]基態(tài)構型opt優(yōu)化后的結構并不是勢能面上能量的最低點，這是為啥呀？ (5/1681)	xcyqyz5233 2011-12-14	2011-12-16 16:53:24 by xcyqyz5233
	[量化圖形 ] [已完結]求助gaussian計算的ECD如何作圖 (8/2319)	furoc 2011-12-15	2011-12-16 16:03:36 by furoc
	[Gaussian] [已完結]求 guassian 98 軟體 (6/825)	lyc2007 2011-12-14	2011-12-16 00:35:20 by lyc2007
	[HyperCh ] [已完結]hyperchem得出的結果如何應用？ (0/542)	cedar818 2011-12-15	2011-12-15 22:13:18 by cedar818
	[Gaussian] [已完結]IRC出現(xiàn)"A mimimum has been detected on the LST pathway"錯誤 (0/488)	jianqin 2011-12-15	2011-12-15 20:10:41 by jianqin
	[Gamess/ ] [已完結]誰用GAMESS做過cutoff？跪求。 (1/440)	kathy2008 2011-10-20	2011-12-15 19:59:46 by sdsp
	[Gaussian] [已完結]高斯03計算發(fā)射光譜，最大發(fā)射波長怎么確定？ (2/714)	lvjinru 2011-12-15	2011-12-15 18:33:15 by lvjinru
	[Gaussian] [已完結]收斂的四個判據(jù) (2/617)	ldzh0531 2011-12-09	2011-12-15 18:02:50 by ldzh0531
	[Gaussian] [已完結][關貼]【求助】高斯計算負一價陰離子自由基時，電荷還是自旋密度說明自由基反應更好一些。 (0/843)	loovfnd 2011-12-15	2011-12-15 14:24:03 by loovfnd