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	[Gaussian] [已完結(jié)]ganssian新手，請教高手。看誰能回答我這個問題 ( 1 2 ) (13/2024)	軍擁天下 2011-04-25	2011-04-27 09:02:29 by boylc789
[熱點]	【同濟軟件】軟件（085405）考研求調(diào)劑	2026eternal 2026-03-24	剛剛
	[Gaussian] [已完結(jié)]單點能計算 (0/441)	lyy880530 2011-04-26	2011-04-26 21:37:30 by lyy880530
	[Gaussian] [已完結(jié)]如何做MP2? (0/873)	liujkbenben 2011-04-26	2011-04-26 20:32:29 by liujkbenben
	[Gaussian] [已完結(jié)]初學(xué)者請教MP2 (2/325)	liujkbenben 2011-04-19	2011-04-26 20:28:51 by liujkbenben
	[Gaussian] [已完結(jié)]非線性的計算方法 (0/171)	365tian 2011-04-26	2011-04-26 18:39:11 by 365tian
	[Gaussian] [已完結(jié)]請教高手，可以幫我看一下這個題嗎？ (9/888)	軍擁天下 2011-04-20	2011-04-26 15:44:03 by 軍擁天下
	[Gaussian] [已完結(jié)]激發(fā)態(tài)優(yōu)化中λ，E,F用哪里的？ (8/1067)	wuhan13517 2011-04-24	2011-04-26 10:41:50 by wuhan13517
	[Gaussian] [已完結(jié)]CASSCF算基態(tài)，換大基組，L405報錯 (6/1730)	daiyulan85 2011-04-25	2011-04-26 10:40:05 by beefly
	[Gaussian] [已完結(jié)]HF+ZPE不等于sum of electronic and ZPE (0/195)	wuqijun1977 2011-04-26	2011-04-26 10:20:25 by wuqijun1977
	[量化圖形 ] [已完結(jié)]求助個問題 (0/226)	nlwxp 2011-04-25	2011-04-25 23:01:07 by nlwxp
	[Gaussian] [已完結(jié)]ONIOM輸出中的extrapolated energy (0/178)	huying15 2011-04-25	2011-04-25 21:58:10 by huying15
	[其他] [已完結(jié)]khimera輸出的活化能Ea的單位是??????? (0/1647)	a-b-c 2011-04-25	2011-04-25 14:00:26 by a-b-c
	[Gaussian] [已完結(jié)]穩(wěn)定點的表征（蟲俠們,SOS） (1/284)	courage2010 2011-04-25	2011-04-25 12:52:39 by 書萬里
	[Gaussian] [已完結(jié)]請問高手如何在gaussian03中如何實現(xiàn)雙基組計算（double Zeta basis set ） (2/1037)	daoshiliu 2011-04-25	2011-04-25 11:26:42 by jiewei
	[量化新手 ] [已完結(jié)]number of optical isomers 怎么看？有什么方法么 (0/146)	efeyer 2011-04-25	2011-04-25 08:18:47 by efeyer
	[量化新手 ] [已完結(jié)]external symmetry 是什么東西��？ (0/265)	efeyer 2011-04-25	2011-04-25 08:17:08 by efeyer
	[Gaussian] [已完結(jié)]軌道對稱性 (4/514)	zml2009 2011-04-24	2011-04-24 21:34:35 by zml2009
	[Gaussian] [已完結(jié)]G09怎么計算熒光效應(yīng)和激發(fā)態(tài)的cis優(yōu)化···· (9/2365)	wuhan13517 2011-04-22	2011-04-24 20:35:43 by wuhan13517
	[Gaussian] [已完結(jié)]帶金屬原子計算CUBE (5/843)	zzl7337 2011-04-24	2011-04-24 18:52:54 by gmy1990
	[Gaussian] [已完結(jié)]求助熒光光譜計算 (7/1400)	alexander8108 2011-04-20	2011-04-24 16:28:18 by xsm713
	[Gaussian] [已完結(jié)]Gaussian 高手進~~急 (金幣≥100)(6/103)	曉玉兒 2011-04-20	2011-04-24 13:09:54 by 曉玉兒
	[Gaussian] [已完結(jié)]三zeta基組 (3/883)	blueybz 2011-04-21	2011-04-24 10:44:18 by jjww0001
	[Gaussian] [已完結(jié)]OPTIMIZATION STOPPED MAXIMUM ITERATIONS EXCEEDED (2/326)	劉志凌 2011-04-24	2011-04-24 09:51:32 by ghcacj
	[Gaussian] [已完結(jié)]關(guān)于oscillator strength (3/2779)	zqtian501 2011-04-23	2011-04-24 09:45:26 by gmy1990
	[ADF/Dal ] [已完結(jié)]adf中 band模塊，畫能帶的k點怎么調(diào)節(jié)？ (金幣≥50)(0/43)	賀儀 2011-04-23	2011-04-23 21:46:24 by 賀儀
	[Gaussian] [已完結(jié)]請問關(guān)于反應(yīng)體系的簡化，芐基可以簡化為什么基團 (1/448)	cleaner_1 2011-04-23	2011-04-23 20:35:57 by recoli
	[其他] [已完結(jié)]寫好化學(xué)論文技巧 (1/306)	我的未來bsm 2011-04-22	2011-04-23 14:57:22 by wuhan13517
	[Gaussian] [已完結(jié)]關(guān)于自旋多重度計算問題 (3/1606)	liujodan 2011-04-22	2011-04-23 13:21:02 by liujodan
	[ADF/Dal ] [已完結(jié)]ADF進行能量分解計算 (3/1090)	liuyusuc 2011-04-20	2011-04-23 12:55:28 by liuyusuc
	[Gaussian] [已完結(jié)]計算方法求助 (0/156)	tuzi198711 2011-04-23	2011-04-23 07:59:40 by tuzi198711
	[Gaussian] [已完結(jié)]如何編寫輸入格式 (2/231)	ww1987 2011-04-22	2011-04-22 21:18:14 by heyo_123
	[Gaussian] [已完結(jié)]為什么過渡態(tài)在HF找到了，DFT下就沒有了？ (1/319)	zhengpc3505 2011-04-22	2011-04-22 20:26:36 by 奔鯊
	[Gaussian] [已完結(jié)]cube結(jié)果文件如何限定結(jié)果范圍 (3/921)	kwit 2011-04-20	2011-04-22 10:41:16 by zhou2009
	[Gaussian] [已完結(jié)]對HOMO的貢獻 ( 1 2 ) (13/1212)	yxk8712 2011-04-19	2011-04-22 10:15:19 by yxk8712
	[Gaussian] [已完結(jié)]計算硫酸亞汞加熱均裂成硫酸亞汞自由基反應(yīng)熱力學(xué)的一些困惑 (3/1167)	20928140 2011-04-20	2011-04-22 10:08:48 by 奔鯊
	[Gaussian] [已完結(jié)]關(guān)于 t1diag ？ (0/524)	wanghui381 2011-04-22	2011-04-22 10:03:03 by wanghui381
	[Gaussian] [已完結(jié)]高斯計算光譜時用的是什么理論 (1/386)	meyhf 2011-04-21	2011-04-21 17:18:02 by gmy1990
	[Gaussian] [已完結(jié)]請大家指點如何做兩化合物的相互作用？ (6/1291)	liujkbenben 2011-04-19	2011-04-21 13:07:00 by boylc789
	[Gaussian] [已完結(jié)]求助：用gaussian03 對ammonia dimer 進行勢能面掃描！急！�。。。。。。�！1 (0/256)	fhqwfn123 2011-04-21	2011-04-21 09:07:32 by fhqwfn123
	[其他] [已完結(jié)]求AB2化合物，A的配位數(shù)大于8 (0/205)	hn19870519 2011-04-20	2011-04-20 19:52:01 by hn19870519
	[Gaussian] [已完結(jié)]T1過渡態(tài)的幾何結(jié)構(gòu)優(yōu)化CASSCF和UHF不同為什么 (1/393)	cwdong8309 2011-04-20	2011-04-20 16:37:14 by fatpig8832
	[Gaussian] [已完結(jié)]求助啊，gaussian高手進 (2/356)	sqh929 2011-04-20	2011-04-20 16:26:10 by sqh929
	[其他] [已完結(jié)][關(guān)貼]求助：一種絡(luò)合物的內(nèi)聚能 (0/245)	好牙膏 2011-04-20	2011-04-20 16:21:37 by 好牙膏
	[NBO/AIM] [已完結(jié)]bond path ， bond basin用漢語翻譯過來怎么解釋？ (4/1024)	MVP41 2011-04-20	2011-04-20 15:18:20 by lihb734
	[Gaussian] [已完結(jié)]關(guān)于高斯計算的問題！ (金幣≥1)(2/75)	simonfm 2011-04-18	2011-04-20 15:06:09 by dfjk-123
	[NBO/AIM] [已完結(jié)]化學(xué)鍵離子性計算 (0/701)	liuyusuc 2011-04-20	2011-04-20 12:27:05 by liuyusuc
	[Gaussian] [已完結(jié)]關(guān)于基組的問題 (1/243)	jinwenyang 2011-04-19	2011-04-19 23:07:13 by beefly
	[Gaussian] [已完結(jié)]求助 (2/312)	dxjdmy 2011-04-19	2011-04-19 17:04:25 by gmy1990
	[NBO/AIM] [已完結(jié)]NBO中電荷轉(zhuǎn)移分析 (1/1212)	saradzj 2011-04-19	2011-04-19 13:59:41 by qzhaosdu
	[Gaussian] [已完結(jié)]計算設(shè)置 (5/513)	lyy880530 2011-04-18	2011-04-19 08:22:39 by lyy880530
	[Gaussian] [已完結(jié)]Gaussian 09軟件 (金幣≥10)(2/223)	weiling082 2011-04-18	2011-04-18 21:59:08 by weiling082
	[Gaussian] [已完結(jié)]請幫忙看看自定義基組出錯在哪里？ (1/510)	fooo 2011-04-18	2011-04-18 14:34:12 by fooo
	[Gaussian] [已完結(jié)]GAUSSIAN軟件中基組的選擇 (金幣≥100)(1/81)	曉玉兒 2011-04-18	2011-04-18 13:23:00 by gmy1990
	[Gaussian] [已完結(jié)]這個誰會��？ (8/1036)	funk223 2011-04-18	2011-04-18 12:19:23 by funk223