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	[Gaussian] [已完結(jié)][關貼]哪些軟件可以做Molecular Dynamics和Conformational Searching (2/496)	a13738053065 2011-08-15	2011-08-18 16:18:13 by linzhongaiguo
[熱點]	一志愿陜師大生物學071000，298分，求調(diào)劑	SYA！ 2026-03-23	剛剛
	[Gaussian] [已完結(jié)]求助熒光計算發(fā)射波長值與實驗差別比較大有50nm，怎么辦？ (3/1375)	s060604014 2011-08-12	2011-08-18 14:46:11 by songp295
	[其他] [已完結(jié)]運用過渡態(tài)方法計算復雜體系相變路徑中的一個問題 (0/464)	fangyongxinxi 2011-08-18	2011-08-18 09:18:29 by fangyongxinxi
	[Gaussian] [已完結(jié)]請問利用gaussian優(yōu)化結(jié)構(gòu)后，如何計算該分子electronic energy (0/266)	riodiego 2011-08-17	2011-08-17 21:20:45 by riodiego
	[Gaussian] [已完結(jié)]關於使用 Gaussian/ZINDO 計算 UV-vis (2/716)	superAchung 2011-08-14	2011-08-17 18:53:19 by yongleli
	[Gaussian] [已完結(jié)]我用Gaussview打開輸出文件，為甚么只顯示原子，鍵都不顯示，怎么樣就顯示鍵了 (3/657)	jujiao201060 2011-08-15	2011-08-16 21:05:32 by beefly
	[Gaussian] [已完結(jié)]能否稍微看一下這個檔案 (5/444)	superAchung 2011-08-15	2011-08-16 01:28:44 by sobereva
	[Gaussian] [已完結(jié)]配位化合物單點能、前線軌道能級、原子電荷等計算輸入命令設置問題 (0/552)	ljmmarise 2011-08-15	2011-08-15 21:13:30 by ljmmarise
	[Gaussian] [已完結(jié)]高斯計算校正因子的問題 (0/434)	xingbuzhe 2011-08-15	2011-08-15 16:51:50 by xingbuzhe
	[Gaussian] [已完結(jié)]關于校正因子 (3/977)	jingetiema61 2011-08-15	2011-08-15 10:42:43 by jingetiema61
	[量化新手 ] [已完結(jié)]O2p能級與其HOMO區(qū)別 (3/968)	zhangzhw 2011-08-14	2011-08-15 08:59:11 by zhou2009
	[量化圖形 ] [已完結(jié)]請教曲線擬合問題 (5/640)	皓月當空8838 2011-08-11	2011-08-15 07:29:31 by djl2008d
	[Gaussian] [已完結(jié)][關貼]讓過渡態(tài)飛的慢一點！ (9/1746)	vividelife 2011-06-22	2011-08-14 22:51:00 by vividelife
	[Gaussian] [已完結(jié)]關于離解能單位轉(zhuǎn)換的問題 (3/468)	wjlsj258 2011-08-11	2011-08-14 16:25:12 by 奔鯊
	[其他] [已完結(jié)][關貼]能態(tài)問題 (0/191)	yuzl_2001 2011-08-14	2011-08-14 14:52:25 by yuzl_2001
	[量化新手 ] [已完結(jié)]請問有無簡單的方法計算小分子有機物的熱力學參數(shù)？ (2/467)	hexiaohui 2011-08-12	2011-08-13 18:42:06 by sea209
	[Gaussian] [已完結(jié)]spectroscopic constants 代表什么物理意義 (0/246)	wjlsj258 2011-08-13	2011-08-13 15:44:47 by wjlsj258
	[Gaussian] [已完結(jié)]含I化合物如何使用混合基組計算？ (0/470)	ytwen 2011-08-13	2011-08-13 11:35:47 by ytwen
	[其他] [已完結(jié)]關于spartan的坐標問題 (0/232)	a13738053065 2011-08-10	2011-08-13 09:52:56 by a13738053065
	[Gaussian] [已完結(jié)]關于guassian中zindo輸入關鍵詞的問題 (0/412)	zhugezilong 2011-08-10	2011-08-13 09:51:27 by zhugezilong
	[量化新手 ] [已完結(jié)]請教下哪位會計算量子點的能級��？ (0/885)	zhaopeng8663 2011-08-11	2011-08-13 09:50:30 by zhaopeng8663
	[Gaussian] [已完結(jié)]計算終止 (0/360)	不喜歡豆芽 2011-08-11	2011-08-13 09:39:15 by 不喜歡豆芽
	[量化圖形 ] [已完結(jié)]請問有沒有人有Mac版本的Gauss View 5？ (0/2726)	PNIPAM 2011-08-13	2011-08-13 05:48:39 by PNIPAM
	[Gaussian] [已完結(jié)]關于oniom計算中能量的問題 (0/708)	charityqi 2011-08-12	2011-08-12 21:37:52 by charityqi
	[Gaussian] [已完結(jié)][關貼]計算晶體怎樣減少鍵長鍵角的相對誤差？怎樣確定中心原子周圍鍵的鍵組成？ (4/1644)	oyljw 2011-07-20	2011-08-12 20:39:00 by oyljw
	[Molpro/ ] [已完結(jié)]各位大俠，molpro計算出錯了，求幫助！ (0/640)	superzxm2009 2011-08-12	2011-08-12 16:04:23 by superzxm2009
	[Gaussian] [已完結(jié)]急急急�。。�！計算得到的紫外計算結(jié)果如何為變成曲線圖？ (1/542)	s060604014 2011-08-12	2011-08-12 08:47:11 by nwwolfchj
	[Gaussian] [已完結(jié)]請教各位大俠，如何進行勢能面交叉計算？請指教�。〖奔奔保。�！ (2/587)	Captain-Jack 2011-08-11	2011-08-12 08:42:51 by yangfan0818
	[Gamess/ ] [已完結(jié)]這個L是什么意思（output of Gamess）,新手求助 (2/464)	fwang2011 2011-08-11	2011-08-12 03:48:33 by fwang2011
	[其他] [已完結(jié)]弄不清該在哪個版上問：具有磁性的小分子有哪些？ (評閱-2) (2/421)	aaq2800 2011-08-11	2011-08-11 15:54:25 by aaq2800
	[Gaussian] [已完結(jié)][關貼]優(yōu)化出故障怎么解決啊 (4/599)	天下楓葉 2011-07-31	2011-08-11 12:48:24 by 天下楓葉
	[Gaussian] [已完結(jié)]GVW中打開fchk文件時出錯，求助各位大俠 (3/771)	604179362 2011-08-07	2011-08-11 12:14:26 by daiyulan85
	[Gaussian] [已完結(jié)]小分子分解能用高斯軟件進行模擬嗎？ (2/488)	蘭亭の序 2011-08-10	2011-08-11 09:27:54 by linzhongaiguo
	[Gaussian] [已完結(jié)]幾何優(yōu)化問題 (2/483)	jingetiema61 2011-08-10	2011-08-10 21:39:23 by jingetiema61
	[量化圖形 ] [已完結(jié)]求助，高手幫忙啊 (1/257)	chiweijie 2011-08-08	2011-08-10 15:55:11 by 小紅豆
	[Gaussian] [已完結(jié)]多體構(gòu)型優(yōu)化中BSSE對結(jié)果的影響 (1/399)	starry99 2011-08-07	2011-08-10 12:47:00 by 江山如畫
	[Gaussian] [已完結(jié)]過渡態(tài)計算 (9/1000)	lm214019 2011-08-05	2011-08-10 11:20:06 by lm214019
	[其他] [已完結(jié)]求一句英語的重寫關于DFT計算方面的，急！�。。兔Π「呤郑。� (4/653)	baiyuefei 2011-08-09	2011-08-10 10:25:49 by fatpig8832
	[其他] [已完結(jié)]求有關光譜原理儀器的書籍 (0/256)	fd_wonder 2011-08-09	2011-08-09 23:41:01 by fd_wonder
	[Gaussian] [已完結(jié)]掃描不同二面角的能量時，相應的頻率怎么計算 (1/167)	liudiwen 2011-08-08	2011-08-09 19:39:38 by michaelHF
	[其他] [已完結(jié)]求助關于鎳和鋅離子的電子排布問題？ (2/1355)	一世英名 2011-08-09	2011-08-09 14:13:20 by 一世英名
	[Gaussian] [已完結(jié)]碳正離子自旋度是多少 (3/634)	rock0927 2011-08-08	2011-08-09 09:33:21 by Quan.
	[Gaussian] [已完結(jié)]300金幣求高手幫忙計算兩個輸入文件 (4/472)	il701 2011-08-08	2011-08-09 09:04:15 by springxa
	[Gaussian] [已完結(jié)]混合基組中,如何讀入前一基組的CHK文件? (4/1472)	zhficcas 2011-08-07	2011-08-08 15:00:34 by fatpig8832
	[Gaussian] [已完結(jié)]chk轉(zhuǎn)化為fchk時出錯，求助各位大俠 (2/414)	604179362 2011-08-07	2011-08-08 11:53:36 by springxa
	[Gaussian] [已完結(jié)]高斯關閉后又開一新程序怎么恢復以前的計算 (0/715)	ldzh0531 2011-08-07	2011-08-07 19:33:13 by ldzh0531
	[Linux應 ] [已完結(jié)]服務器高斯計算完了，為什么chk文件無法下載？ (4/1350)	1a1a11a 2011-08-05	2011-08-07 14:55:38 by 1a1a11a
	[Gaussian] [已完結(jié)]新手急求 <運行剛開始出現(xiàn)2070錯誤> (1/852)	Gau_ssian 2011-08-06	2011-08-06 11:38:48 by fatpig8832
	[Gaussian] [已完結(jié)]DFT方法如何算同位素效應？ (0/1319)	dlstella 2011-08-05	2011-08-05 22:53:32 by dlstella
	[Gaussian] [已完結(jié)]6-311++G(d,p)對應aug-cc-PVXZ里的哪個？ (2/693)	kerro 2011-08-05	2011-08-05 21:23:39 by kerro
	[Gaussian] [已完結(jié)]GaussView 打開輸出文件后為什么 result-vibration 是灰色的? (4/2386)	jujiao201060 2011-08-04	2011-08-05 10:24:27 by jujiao201060
	[Gaussian] [已完結(jié)]GView打開log文件出錯(樓主取消求助) (4/1919)	zml2009 2011-04-30	2011-08-04 19:52:30 by zml2009
	[Gaussian] [已完結(jié)][關貼]NBO分析中BD (1) 中括號中的數(shù)字代表什么？ (3/1201)	shenailin 2011-06-28	2011-08-04 17:35:52 by linzhongaiguo
	[Gaussian] [已完結(jié)]求高人指導關于溶劑化效應問題，求求求求求？？？？？？ (2/297)	13512385488 2011-08-02	2011-08-04 16:47:14 by chemniu
	[NBO/AIM] [已完結(jié)]求助解釋公式 (1/323)	jinrf 2011-08-03	2011-08-04 12:27:45 by yongleli
	[Gaussian] [已完結(jié)]怎么計算或者在哪可以查到有機染料的HOMO能級 (6/1100)	melodycao 2011-07-30	2011-08-04 12:07:11 by meteoric30
	[Gaussian] [已完結(jié)]彌散和極化基組的選擇 (3/2358)	starry99 2011-08-02	2011-08-04 01:28:14 by mchen10
	[Molpro/ ] [已完結(jié)]各位大俠，molpro計算出錯了，求幫助！ (1/473)	mei1988925 2011-08-03	2011-08-04 01:18:03 by mchen10
	[Gaussian] [已完結(jié)]單電子轉(zhuǎn)移（SET）過渡態(tài)計算 (0/1316)	JAC 2011-08-03	2011-08-03 13:24:12 by JAC
	[Gaussian] [已完結(jié)][關貼]微擾分子軌道近似計算自由基 (0/207)	kathy2008 2011-08-03	2011-08-03 09:03:08 by kathy2008
	[ADF/Dal ] [已完結(jié)]求助ADF最新licence，多謝了啊 (2/430)	lipeng87 2011-08-01	2011-08-01 21:56:44 by lipeng87
	[Gaussian] [已完結(jié)]高斯錯誤求助 (0/162)	qihuang 2011-08-01	2011-08-01 21:48:17 by qihuang
	[Gaussian] [已完結(jié)]NAO原子軌道能量大小 (5/1574)	亍寞 2011-07-31	2011-08-01 21:24:39 by 亍寞
	[NBO/AIM] [已完結(jié)]如何得到Beta Molecular Orbital Coefficients？ (1/410)	kathy2008 2011-08-01	2011-08-01 17:12:53 by 魚妃
	[Multiwfn] [已完結(jié)]請問各位些關于靜電勢圖方面的問題 (3/792)	chenxiankai 2011-07-31	2011-08-01 09:02:39 by chenxiankai
	[Gaussian] [已完結(jié)]求助β-環(huán)糊精在GaussView中的結(jié)構(gòu) (3/2385)	低調(diào)先生 2011-07-30	2011-08-01 00:03:12 by 低調(diào)先生
	[Gaussian] [已完結(jié)]頻率優(yōu)化求助 (3/480)	鋒線殺手 2011-07-26	2011-07-31 17:56:52 by 鋒線殺手
	[Gaussian] [已完結(jié)]高斯學習方法 (6/899)	a719053855 2011-07-23	2011-07-31 16:25:51 by a719053855
	[Gaussian] [已完結(jié)]內(nèi)存如何設置最好 (8/1217)	forestwolf9291 2011-07-30	2011-07-31 14:10:54 by fatpig8832
	[ADF/Dal ] [已完結(jié)]ADF軟件中XC Model SOAP怎么使用 (0/312)	akikucoco 2011-07-31	2011-07-31 10:27:29 by akikucoco
	[Gaussian] [已完結(jié)]量化計算文獻里面的漂亮分子結(jié)構(gòu)圖是用什么軟件畫的？ (2/537)	20928140 2011-07-30	2011-07-31 10:07:59 by 20928140
	[Gaussian] [已完結(jié)]反應通道ZPE校準異常 (6/927)	zhengpc3505 2011-07-07	2011-07-31 09:33:27 by charityqi
	[NBO/AIM] [已完結(jié)]NAO分析各軌道能量時遇到的問題，高手們來看看啊~ (2/401)	gtolv8688 2011-07-30	2011-07-30 21:50:32 by gtolv8688
	[Gaussian] [已完結(jié)]過渡態(tài)求助 (1/332)	鋒線殺手 2011-07-27	2011-07-30 20:32:39 by 獨孤狼
	[Gaussian] [已完結(jié)]SAPO-34 優(yōu)化 (0/195)	rock0927 2011-07-30	2011-07-30 17:01:30 by rock0927
	[量化圖形 ] [已完結(jié)]gaussian優(yōu)化出現(xiàn)的問題，求高手解疑。 (7/887)	realmanster 2011-07-16	2011-07-30 13:33:05 by realmanster
	[Gaussian] [已完結(jié)]charge distribution中，顏色問題。 (1/1153)	simonfm 2011-07-26	2011-07-30 11:57:01 by forestwolf9291
	[Gaussian] [已完結(jié)]求助能隙 (0/154)	ss4007 2011-07-27	2011-07-27 09:19:37 by ss4007
	[量化圖形 ] [已完結(jié)]單晶結(jié)構(gòu) (4/551)	yxk8712 2011-07-23	2011-07-26 22:39:35 by sprinaiv
	[Gaussian] [已完結(jié)]如何固定原子于同一平面 (1/950)	rock0927 2011-07-22	2011-07-26 22:25:36 by rock0927
	[Gaussian] [已完結(jié)]如何用Gaussian算或者顯示p-pi共軛作用 ( 1 2 ) (QC強帖+1)(12/3129)	jianqin 2011-07-07	2011-07-25 22:20:53 by jianqin
	[Gaussian] [已完結(jié)]高斯計算激發(fā)態(tài)并行問題 (6/1980)	gujing136 2011-07-25	2011-07-25 18:15:37 by gujing136
	[Gaussian] [已完結(jié)]大家給推薦一下計算金屬配合物或者有機物發(fā)光的牛人 (0/255)	醒目蘋果倪1707 2011-07-25	2011-07-25 17:32:51 by 醒目蘋果倪1707
	[Gaussian] [已完結(jié)]Gaussian內(nèi)坐標優(yōu)化出錯 (1/582)	stjdrw 2011-07-25	2011-07-25 13:42:25 by fatpig8832
	[ChemOff ] [已完結(jié)]chem3d中的視圖坐標與模型坐標 (0/1688)	stjdrw 2011-07-25	2011-07-25 11:52:46 by stjdrw
	[量化新手 ] [已完結(jié)]求助文獻 (0/172)	我的未來bsm 2011-07-25	2011-07-25 09:56:25 by 我的未來bsm
	[Gaussian] [已完結(jié)]高斯報錯信息 L602 和L9999 (1/1301)	huanghl2010 2011-07-23	2011-07-24 10:09:15 by zhangmt
	[量化圖形 ] [已完結(jié)]什么軟件畫的？ (2/585)	lu_lu_jin 2011-07-23	2011-07-24 09:20:23 by 魚妃
	[量化新手 ] [已完結(jié)]真空和溶劑效應能量比較 (4/490)	不喜歡豆芽 2011-07-22	2011-07-23 10:41:51 by 不喜歡豆芽
	[Gaussian] [已完結(jié)]高斯dielectric (7/670)	不喜歡豆芽 2011-07-20	2011-07-23 10:35:10 by 不喜歡豆芽
	[Gaussian] [已完結(jié)]gaussian 算電荷的時候能固定H的電荷為零嗎？ (4/792)	xiaoyingw 2011-07-22	2011-07-23 10:21:17 by zhangmt
	[Gaussian] [已完結(jié)]哪位前輩幫忙下載一篇BCSJ的文獻吧 (0/478)	phoenixydp 2011-07-22	2011-07-22 22:30:03 by phoenixydp
	[Molpro/ ] [已完結(jié)]各位大俠，求幫助！ (3/671)	mei1988925 2011-07-22	2011-07-22 21:31:06 by 游子8921
	[其他] [已完結(jié)]求高手指點 (0/219)	chiweijie 2011-07-22	2011-07-22 17:10:10 by chiweijie
	[量化新手 ] [已完結(jié)]求各種CNT的gif 文件 (3/528)	listarstar 2011-07-21	2011-07-22 16:56:38 by listarstar
	[Gaussian] [已完結(jié)]過渡態(tài)的尋找 (4/1013)	dogone 2011-07-19	2011-07-22 11:24:15 by 遙遠的樹
	[Gaussian] [已完結(jié)]cubegen 的關鍵字ShieldingDensity 求解釋 (1/303)	043114076 2011-07-21	2011-07-22 08:54:00 by 043114076
	[其他] [已完結(jié)]請問高手一個簡單的問題 ( 1 2 ) (11/2125)	qingjiaokong 2011-06-15	2011-07-22 08:39:42 by 043114076
	[NBO/AIM] [已完結(jié)]求助啊，用ADF算極化率結(jié)果出錯了。 (0/328)	polaris2 2011-07-21	2011-07-21 22:47:20 by polaris2
	[量化圖形 ] [已完結(jié)]求VMOdes_7_1.zip 的解壓碼 (0/429)	yaoed 2011-07-21	2011-07-21 22:33:31 by yaoed