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	[Gaussian] [已完結(jié)]Gaussian :#2061 錯誤 (2/1191)	sesy 2012-02-17	2012-02-19 10:02:53 by sesy
[熱點]	中南大學化學學碩337求調(diào)劑	niko- 2026-03-23	剛剛
	[Gaussian] [已完結(jié)]關于優(yōu)化后結(jié)果的使用問題 (0/232)	furoc 2012-02-18	2012-02-18 19:44:00 by furoc
	[Gaussian] [已完結(jié)]奇怪 ( 1 2 ) (15/826)	zhficcas 2012-02-17	2012-02-18 14:51:27 by zhficcas
	[Gaussian] [已完結(jié)]Gaussian單點能計算時，能否用某個關鍵詞單獨輸出庫倫勢 (0/445)	zhangxie919 2012-02-18	2012-02-18 11:35:40 by zhangxie919
	[Gaussian] [已完結(jié)]ONIOM優(yōu)化，l9999后restart報錯 (2/860)	minatomirai 2012-02-15	2012-02-18 10:31:41 by mophyworld
	[Gaussian] [已完結(jié)]重金求助HOMO/LUMO問題 (5/2223)	鋒線殺手 2012-02-15	2012-02-18 10:26:40 by 鋒線殺手
	[Gaussian] [已完結(jié)]很詭異的一個現(xiàn)象！ (1/340)	Captain-Jack 2012-02-17	2012-02-18 09:17:58 by zhficcas
	[Gaussian] [已完結(jié)]gaussian自選多重度的輸入問題 (3/1563)	hryang 2012-02-15	2012-02-18 09:07:42 by hryang
	[Gaussian] [已完結(jié)]homo lumo的顏色能否分析反應發(fā)生的方式 (4/897)	dingniu2 2012-02-17	2012-02-17 21:43:10 by dingniu2
	[Gaussian] [已完結(jié)][關貼]優(yōu)化 (4/484)	liudiwen 2012-02-16	2012-02-17 09:04:35 by hanpeng972
	[Gaussian] [已完結(jié)]稀土La的SDD基組輸入求教 (3/962)	172304 2012-02-15	2012-02-17 08:26:38 by 172304
	[量化新手 ] [已完結(jié)]求救貼，關于LCAO-MO自洽場計算的問題 (0/374)	dragon0714 2012-02-16	2012-02-16 23:32:35 by dragon0714
	[其他] [已完結(jié)]染料敏化太陽能電池電子轉(zhuǎn)移動力學研究可以用什么方法來研究（計算化學適用的方法） (2/593)	yingtu 2012-01-10	2012-02-16 16:05:50 by doriagy
	[Gaussian] [已完結(jié)]紫外計算 (5/820)	461018249 2012-02-16	2012-02-16 15:28:32 by 461018249
	[Gaussian] [已完結(jié)]氫原子在優(yōu)化過程中從氨基上跑到羧基上去了 (9/909)	helitrope 2012-02-14	2012-02-16 15:01:43 by Jasminer
	[Gaussian] [已完結(jié)]分解機理 (0/223)	至秦helen 2012-02-16	2012-02-16 14:54:31 by 至秦helen
	[Gaussian] [已完結(jié)][關貼]如何固定分子 (4/448)	liudiwen 2012-02-14	2012-02-16 11:34:22 by liudiwen
	[量化圖形 ] [已完結(jié)]Gv 怎么修改atomic radius, 把沒顯示出來的鍵顯示出來 (4/780)	zhangtianyun 2012-02-15	2012-02-16 11:28:22 by yjcmwgk
	[Gaussian] [已完結(jié)]誠心求教，如何scan。回復即散分 (2/314)	Illusionist 2012-02-14	2012-02-16 11:03:52 by kaegi
	[Multiwfn] [已完結(jié)]文件打開后窗口自動關閉 (2/539)	janetin 2012-02-15	2012-02-16 10:25:21 by janetin
	[Gaussian] [已完結(jié)]急急! (5/394)	liudiwen 2012-01-06	2012-02-16 09:43:16 by nnipp
	[Molpro/ ] [已完結(jié)]請教用molpro打印氫分子離子的重疊積矩陣、單電子積分矩陣、偶極矩陣 (3/1384)	wenwuxu8992 2012-02-14	2012-02-15 11:00:59 by beefly
	[Gaussian] [已完結(jié)]BSSE校正 (7/1872)	樂逍遙741 2012-02-12	2012-02-15 10:29:41 by 樂逍遙741
	[其他] [已完結(jié)][關貼]一個數(shù)學問題 (0/198)	lyw867 2012-02-15	2012-02-15 09:28:28 by lyw867
	[其他] [已完結(jié)]多通道反應勢能面，計算速率常數(shù)軟件 (1/504)	醒目蘋果倪1707 2012-02-14	2012-02-15 09:14:32 by dreamyeye
	[Gaussian] [已完結(jié)]弱問一個溶劑模型 (2/389)	ryxiao 2012-02-14	2012-02-15 06:39:42 by ryxiao
	[HyperCh ] [已完結(jié)]hyperchem優(yōu)化錯誤了！ (0/631)	liyincumt 2012-02-15	2012-02-15 00:15:19 by liyincumt
	[其他] [已完結(jié)]過氧化二苯甲酰的分子尺寸大小 (0/322)	yanstone 2012-02-14	2012-02-14 16:27:49 by yanstone
	[Gaussian] [已完結(jié)]自旋密度問題 (1/359)	caozf 2012-02-14	2012-02-14 10:24:00 by zhficcas
	[其他] [已完結(jié)]求電子書 Molecular Spectroscopy (2/617)	PHIP 2012-02-01	2012-02-14 01:56:01 by PHIP
	[Gaussian] [已完結(jié)]關于gaussian中Au的基組 (0/368)	topten-gg 2012-02-14	2012-02-14 01:49:12 by topten-gg
	[Gaussian] [已完結(jié)]關于GAUSS計算 (1/628)	大臉偉 2012-02-10	2012-02-14 00:42:41 by JimKarrey
	[Gaussian] [已完結(jié)]適用于Ir金屬配合物的泛函有哪些？ (2/355)	會飛的種子 2012-02-12	2012-02-13 22:38:08 by recoli
	[Gaussian] [已完結(jié)]【求助】ESP跟Total density在分析反應性的時候有什么區(qū)別啊 (3/863)	慢三兒 2012-01-14	2012-02-13 22:04:24 by 慢三兒
	[Gaussian] [已完結(jié)]速率常數(shù)的計算 (0/427)	zm_tbw 2012-02-13	2012-02-13 18:10:37 by zm_tbw
	[Gaussian] [已完結(jié)]（BCO）3+陽離子環(huán)上有幾個pi電子 (9/983)	樂逍遙741 2012-02-11	2012-02-13 10:20:14 by 樂逍遙741
	[Gaussian] [已完結(jié)]Stuttgart RSC 基組計算出現(xiàn)問題 (1/387)	20928140 2012-02-12	2012-02-13 09:50:16 by 20928140
	[Gaussian] [已完結(jié)]請教，關于用gaussview看分子軌道 (8/2577)	雪狼790 2011-06-10	2012-02-12 18:10:02 by TimXu
	[量化圖形 ] [已完結(jié)]怎么切面 (0/515)	中秋節(jié)園園 2012-02-12	2012-02-12 16:01:28 by 中秋節(jié)園園
	[Gaussian] [已完結(jié)]優(yōu)化晶體結(jié)構(gòu)中的氫原子 (0/408)	chaowen1314 2012-02-11	2012-02-11 17:32:02 by chaowen1314
	[Gaussian] [已完結(jié)]過渡態(tài)圖的畫法急用，謝��！ (4/2153)	zhaoyxcas 2012-02-10	2012-02-11 16:56:19 by wxb711320
	[Gaussian] [已完結(jié)]如何用高斯計算乙醛和乙腈反應的可能性 (0/617)	aywater 2012-02-11	2012-02-11 10:21:27 by aywater
	[Molpro/ ] [已完結(jié)]molpro波函數(shù)的提取 (2/1242)	wenwuxu8992 2011-05-26	2012-02-11 01:19:09 by beefly
	[Gaussian] [已完結(jié)]網(wǎng)上找到的基組如何導入高斯使用？ (3/2258)	limj 2012-02-10	2012-02-10 21:56:42 by nyzhaoyin
	[其他] [已完結(jié)]異胞嘧啶結(jié)構(gòu)式 (2/708)	肖瀟 2012-02-10	2012-02-10 19:59:52 by thegrimreaper
	[Gaussian] [已完結(jié)]自定義機組發(fā)生錯誤 (7/1332)	helitrope 2012-02-10	2012-02-10 17:35:15 by helitrope
	[Gaussian] [已完結(jié)]急�。。∈褂貌煌M計算同一芳環(huán)上的碳的輸入文件格式�。�！ (7/1285)	lion0528 2011-09-28	2012-02-10 16:31:33 by lion0528
	[其他] [已完結(jié)]求量子化學文獻中能量變化圖的做法 (7/1284)	janetin 2011-12-26	2012-02-10 14:54:43 by 肖瀟
	[Gaussian] [已完結(jié)][關貼]求gaussian view for linux (3.09或4.12版本for linux) (0/306)	chj787 2012-02-10	2012-02-10 12:21:30 by chj787
	[Gaussian] [已完結(jié)]金屬離子輸入文件中自旋多重度問題 (0/1382)	lifei_dut 2012-02-10	2012-02-10 11:42:02 by lifei_dut
	[Gaussian] [已完結(jié)]IRC驗證的英語表達 (4/930)	zhaoyxcas 2012-01-10	2012-02-10 11:05:34 by zhaoyxcas
	[Gaussian] [已完結(jié)]基組含義 ( 1 2 ) (10/2963)	靜水四葉草 2012-01-07	2012-02-10 10:24:12 by 靜水四葉草
	[Gaussian] [已完結(jié)]過渡態(tài)頻率 ( 1 2 ) (13/1141)	靜水四葉草 2012-01-09	2012-02-10 10:18:08 by 靜水四葉草
	[Gaussian] [已完結(jié)]關于IRC的問題 (0/328)	aimonkey 2012-02-10	2012-02-10 08:58:49 by aimonkey
	[Gaussian] [已完結(jié)]G09無任何報錯情況下停止（結(jié)構(gòu)優(yōu)化） (0/324)	rainandstar 2012-02-09	2012-02-09 21:48:17 by rainandstar
	[Gaussian] [已完結(jié)]新手求助：gaussian03里怎么進行勢能面掃描計算！ ( 1 2 ) (10/3452)	fhqwfn123 2011-04-19	2012-02-09 19:28:20 by 游子8921
	[Gaussian] [已完結(jié)]高斯掃勢能面的問題 (5/1356)	asaki 2011-05-19	2012-02-09 17:08:40 by liupei87
	[Gaussian] [已完結(jié)]有關電勢面掃描的問題，急�。。。。。。。�！ (4/1280)	zhangdi6802 2011-05-09	2012-02-09 14:36:20 by 游子8921
	[Gaussian] [已完結(jié)]單點能計算結(jié)構(gòu)發(fā)生改變 (8/1144)	efeyer 2011-11-11	2012-02-09 14:10:59 by sch
	[Gaussian] [已完結(jié)]老出同一個錯誤，請教是什么原因呢，謝謝 (1/436)	霧溪之魅 2012-02-09	2012-02-09 11:31:33 by sch
	[Gaussian] [已完結(jié)]基組理解求助 (0/273)	caozf 2012-02-08	2012-02-08 20:23:03 by caozf
	[Gaussian] [已完結(jié)]請問Gaussian中的OUT文件中絕對熱焓變怎么求？ (0/414)	iamlongwei 2012-02-08	2012-02-08 16:20:07 by iamlongwei
	[量化新手 ] [已完結(jié)][關貼]D原子（氘）取代H的問題 (2/699)	hedonistful 2012-02-07	2012-02-08 07:43:47 by yumu0411
	[Gaussian] [已完結(jié)]高斯計算有句警示不懂，求助！ (5/1005)	飯飯316 2012-02-06	2012-02-07 21:30:14 by 飯飯316
	[ADF/Dal ] [已完結(jié)]計算結(jié)合能和穩(wěn)定化能是一回事嗎？有什么不同嗎? (2/668)	sangym 2012-01-04	2012-02-07 14:15:29 by sangym
	[Gaussian] [已完結(jié)]gaussian算非諧性出問題 (1/711)	xixi1007 2012-02-03	2012-02-07 05:27:24 by mchen10
	[Gaussian] [已完結(jié)]Gaussian計算有錯無法進行 (0/321)	undergoer 2012-02-06	2012-02-06 18:16:06 by undergoer
	[Gaussian] [已完結(jié)]使用 AUG-cc-pV6Z基組計算，出現(xiàn)錯誤。 ( 1 2 ) (10/1429)	zhangguangping 2012-02-05	2012-02-06 09:55:42 by abbott
	[Gaussian] [已完結(jié)]高斯運算出錯，求大神指點迷津。。 (0/425)	句定定 2012-01-30	2012-02-06 08:32:01 by 句定定
	[Gaussian] [已完結(jié)]gaussian NBO計算出錯，提示Subroutine NAOANL... (0/605)	mcv 2012-02-04	2012-02-06 07:45:50 by mcv
	[Gaussian] [已完結(jié)]pcm 能量分析 --往大家能幫忙解答下。萬分感謝 (0/230)	liyongxiu 2012-02-04	2012-02-06 07:44:42 by liyongxiu
	[量化新手 ] [已完結(jié)][關貼]請問the Wiberg bond orders 如何計算 (0/367)	s090604054 2012-02-05	2012-02-05 15:03:30 by s090604054
	[量化新手 ] [已完結(jié)][關貼]量子化學中the Wiberg bond orders 是什么意思 (評閱-5) (1/1653)	s090604054 2012-02-05	2012-02-05 12:10:21 by oyljw
	[Gaussian] [已完結(jié)]卟啉收斂難 ( 1 2 3 ) (21/795)	slay3 2012-02-02	2012-02-05 11:38:44 by slay3
	[Gaussian] [已完結(jié)]做Gaussian計算用的電腦配置 (5/2340)	furoc 2012-02-04	2012-02-04 21:24:58 by sobereva
	[Gaussian] [已完結(jié)]計算路徑錯在哪里 (4/931)	chaowen1314 2012-02-02	2012-02-03 17:28:04 by chaowen1314
	[其他] [已完結(jié)]電腦Linux用什么系統(tǒng)？ ( 1 2 ) (13/2557)	nwwolfchj 2011-05-18	2012-02-03 16:40:10 by jewelseeker
	[Gaussian] [已完結(jié)]求助：在cluster中怎么對計算節(jié)點進行分配 (6/1122)	vallen 2011-10-19	2012-02-02 09:56:41 by zhangguangping
	[ChemOff ] [已完結(jié)]chem3d里面默認小數(shù)點后只有一位 (0/308)	nyzhaoyin 2012-02-01	2012-02-01 13:22:14 by nyzhaoyin
	[量化圖形 ] [已完結(jié)]linux下有類似chemdraw chemoffice的軟件嗎 ( 1 2 ) (13/2472)	nyzhaoyin 2012-01-30	2012-01-31 21:41:38 by nyzhaoyin
	[量化圖形 ] [已完結(jié)]這文章中的TOC什么軟件弄出來的？ (1/1164)	loovfnd 2011-12-29	2012-01-30 19:39:38 by 雨晨田木
	[量化新手 ] [已完結(jié)]電子光譜 (1/301)	云羅 2011-12-30	2012-01-30 19:38:58 by 云羅
	[Gaussian] [已完結(jié)]用Gusssum做molecular orbital contribution用的是那種電荷分布呀？是muliken電荷么？ (2/496)	tangss1981 2012-01-11	2012-01-30 16:56:35 by yjcmwgk
	[Gaussian] [已完結(jié)][關貼]chemoffice優(yōu)化后的用Gaussian就出錯 (2/771)	549536348 2012-01-06	2012-01-30 11:28:04 by scottfreedom
	[Linux應 ] [已完結(jié)]求助一個簡單的腳本 (4/1124)	yaowenzhi 2012-01-27	2012-01-29 16:36:37 by yaowenzhi
	[Gaussian] [已完結(jié)]這個圖是怎么做的啊 (8/1168)	lyc2007 2012-01-25	2012-01-29 10:05:32 by 奔鯊
	[其他] [已完結(jié)]有誰知道4-氨基-1,8-萘酰亞胺在甲醇溶劑中的最大吸收波長（實驗值）？謝謝 (2/369)	qinyuzhu5233 2012-01-27	2012-01-28 07:37:53 by guojialh
	[其他] [已完結(jié)]化學物理期刊 (2/380)	janet466158 2011-12-28	2012-01-27 17:38:40 by janet466158
	[Gaussian] [已完結(jié)]CCSD(T)計算結(jié)果提問 (1/318)	yaowenzhi 2012-01-24	2012-01-27 11:56:31 by nyzhaoyin
	[量化新手 ] [已完結(jié)]請牛人幫忙計算一下苯酚和鄰氯苯酚這兩種物質(zhì)電離態(tài)和非電離態(tài)苯環(huán)上的電子云密度 (0/346)	angelsh 2012-01-11	2012-01-26 20:08:52 by angelsh
	[Turbomo ] [已完結(jié)]orca引入外部電荷文件的計算 (0/637)	astringent 2012-01-11	2012-01-26 20:06:18 by astringent
	[Gaussian] [已完結(jié)]高斯能夠用SM6這種溶劑模型么？ (0/173)	chenxiankai 2012-01-06	2012-01-26 19:59:20 by chenxiankai
	[Gaussian] [已完結(jié)]各位大神！請教一下CP校正中的能量問題 (0/216)	lion0528 2012-01-13	2012-01-26 19:57:38 by lion0528
	[Gaussian] [已完結(jié)]VOLUME 關鍵字是否可計算金屬原子及離子的體積 (1/509)	XYLF 2012-01-19	2012-01-26 17:42:26 by sobereva
	[Gaussian] [已完結(jié)]opt時能量震蕩怎么解決重新求助 (4/992)	nyzhaoyin 2012-01-25	2012-01-26 10:04:53 by yoghurt117
	[Gaussian] [已完結(jié)]delete ( 1 2 ) (VIP≥65535)(12/285)	xiaopengs 2011-11-11	2012-01-25 19:32:41 by xxjiang
	[Gamess/ ] [已完結(jié)]有熟悉cclib method的嗎 (0/378)	fwang2011 2011-12-28	2012-01-25 18:56:31 by fwang2011
	[Gaussian] [已完結(jié)]乳酸對應體的pKa不一樣是哪篇文章說的 (3/964)	xmc212 2012-01-21	2012-01-24 10:57:12 by coolrainbow