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	[Gaussian] [已完結]【求助】高斯計算電荷時，什么方法計算的更準確些呢？有什么界定方法嗎？ (2/612)	loovfnd 2011-12-14	2011-12-15 14:21:33 by loovfnd
[熱點]	山東省面上項目限額評審	石瑞0426 2026-03-23	剛剛
	[Gaussian] [已完結]go3w 計算中的暫停功能 (1/419)	luojin7653 2011-12-15	2011-12-15 12:49:24 by gmy1990
	[Gaussian] [已完結]關于gaussian09中EOM CCSD方法做激發(fā)態(tài)優(yōu)化的問題 (1/1819)	xmdxn 2011-12-15	2011-12-15 12:42:45 by gmy1990
	[其他] [已完結]求改寫幾句話，關于電子結構的！ (0/229)	qkzh3091 2011-12-15	2011-12-15 08:33:51 by qkzh3091
	[Gaussian] [已完結]請教各位大俠，高斯技術部的回復�？刂齐娮优挪架壍赖木唧w操作如何執(zhí)行？ (4/1308)	gujing136 2011-12-10	2011-12-14 16:52:03 by zhangmt
	[Gaussian] [已完結]大俠們，請教一下，高斯能否設定初始電子排布……謝謝 (4/631)	gujing136 2011-12-09	2011-12-14 16:45:06 by zhangmt
	[量化新手 ] [已完結]求助，什么是DFT中的BR方法？ ( 1 2 ) (10/1201)	iandgod 2011-12-10	2011-12-14 10:05:39 by yjcmwgk
	[NBO/AIM] [已完結]為什么不能用NBO分析wb97xd方法優(yōu)化好結構的鍵級？ (1/730)	ludeng8710 2011-12-09	2011-12-14 09:22:58 by lion0528
	[Gaussian] [已完結]怎么算第一單重激發(fā)態(tài)的HOMO 和LUMO ? (0/614)	huangshp 2011-12-14	2011-12-14 01:56:10 by huangshp
	[Gaussian] [已完結]homo和lumo批量提取的腳本 ( 1 2 3 ) (24/2914)	秋雨子 2011-12-05	2011-12-13 23:43:07 by 秋雨子
	[Gaussian] [已完結]求教大家Gaussian對混合物怎樣進行建模？？ (1/215)	yanwuyu123 2011-12-13	2011-12-13 16:09:27 by yanwuyu123
	[Gaussian] [已完結]官能團電荷 (4/1188)	bubuweiying 2011-12-12	2011-12-13 13:51:48 by sobereva
	[量化圖形 ] [已完結]這個圖是用哪個軟件做出來的 (4/1697)	wntc 2011-12-12	2011-12-13 13:36:11 by sobereva
	[Gaussian] [已完結]求詳解，如何用掃描的方法尋找過渡態(tài)的穩(wěn)定構型 (2/454)	lion0528 2011-12-12	2011-12-13 09:59:11 by ryxiao
	[其他] [已完結]有誰知道DFT/MRCI在哪下載嗎 (4/761)	sjsznh 2011-12-10	2011-12-13 09:43:36 by nwwolfchj
	[Gaussian] [已完結]弱問G3計算能量 (3/900)	ryxiao 2011-12-12	2011-12-13 09:09:45 by 靜水四葉草
	[Gaussian] [已完結]計算含Pt的體系時方法和基組的問題 (0/394)	honeypeng 2011-12-12	2011-12-12 20:47:06 by honeypeng
	[Gaussian] [已完結]HOMO LUMO的alpha beta MOs數(shù)值為什么是一樣的 (0/1290)	mcv 2011-12-12	2011-12-12 20:35:31 by mcv
	[ChemOff ] [已完結][關貼]求助如何用chem3D計算分子的電荷分布 (0/3182)	學員uBZzff 2011-12-12	2011-12-12 20:15:31 by 一米陽光yzw
	[Gaussian] [已完結]初始構型的選擇 (3/653)	婷婷-啦啦 2011-12-12	2011-12-12 19:59:21 by gkf高
	[Gaussian] [已完結]關于能量問題 (1/392)	happy111839 2011-12-08	2011-12-12 15:03:22 by zhangmt
	[Gaussian] [已完結]小白求問qst2中如何保持原子順序一致 (2/602)	LinaInverse 2011-12-10	2011-12-12 14:55:43 by 一個人的安靜
	[Gamess/ ] [已完結]GAMESS編譯 (9/1267)	寒雨人生 2011-12-09	2011-12-12 12:50:03 by abdoman
	[Gaussian] [已完結]gaussian 氫轉移機理 (0/358)	伶仃未了 2011-12-12	2011-12-12 10:57:16 by 伶仃未了
	[Gaussian] [已完結]AOMix 程序在計算CDA時出現(xiàn)了問題 (0/259)	A-303 2011-12-12	2011-12-12 09:27:29 by A-303
	[其他] [已完結]急求，由于量子尺寸效應導致的銀材料導電性差，本人急求哦，兄弟姐妹們幫幫忙啊~~~~ (0/242)	小木蟲阿瑞 2011-12-07	2011-12-12 09:03:14 by 小木蟲阿瑞
	[Gaussian] [已完結]關于固定部分原子得到的優(yōu)化結構零點能校正 (0/322)	nnipp 2011-12-08	2011-12-12 09:01:30 by nnipp
	[量化新手 ] [已完結]糾結��！怎么算不下去了？ (5/991)	夢623 2011-12-09	2011-12-12 08:25:14 by 夢623
	[Gaussian] [已完結]高斯計算單重激發(fā)態(tài)和三重激發(fā)態(tài)一問 (0/1728)	peterman 2011-12-11	2011-12-11 20:15:14 by peterman
	[Gaussian] [已完結]如何計算金屬絡合物中的三重態(tài)到基態(tài)的光譜發(fā)射 (0/365)	迷茫的小飛俠 2011-12-11	2011-12-11 19:09:48 by 迷茫的小飛俠
	[Gaussian] [已完結]怎么在Gaussian view中顯示分子結構的鍵長 (3/4114)	sunzhiguo 2011-12-09	2011-12-11 14:19:52 by 偉明
	[Gaussian] [已完結]高斯中使用混合基組出錯 (0/1329)	lion0528 2011-12-11	2011-12-11 11:35:37 by lion0528
	[Gaussian] [已完結]gaussian 中斷，但是沒有任何錯誤提示·········· (0/381)	Illusionist 2011-12-10	2011-12-11 09:52:44 by Illusionist
	[Gaussian] [已完結]如何使Gaussian03w軟件實現(xiàn)一個文件一個文件的聯(lián)算？ (1/251)	zhangxin8852 2011-12-09	2011-12-11 08:35:59 by mchen10
	[Gaussian] [已完結]win7下內存調用問題 (4/728)	伶仃未了 2011-12-10	2011-12-10 21:20:28 by 后來1206
	[Gaussian] [已完結]gaussiew和gaussian兼容的問題 (0/422)	beihai722 2011-12-10	2011-12-10 09:54:52 by beihai722
	[Gaussian] [已完結]【求助】求3-4萬元塔式服務器配置單。 (6/1132)	loovfnd 2011-12-08	2011-12-09 19:09:07 by Jasminer
	[Gaussian] [已完結]B3LYP*在Gaussian里的輸入是怎樣的 (5/1173)	Jenny0428 2011-12-07	2011-12-09 16:42:36 by qinghui0201
	[Gaussian] [已完結]G09續(xù)算問題 (2/903)	ldzh0531 2011-12-04	2011-12-09 10:01:40 by gujing136
	[Gaussian] [已完結]求高斯計算步驟 (6/1145)	moqing1991 2011-12-08	2011-12-09 09:50:36 by gujing136
	[Gaussian] [已完結]選修課考試---高斯 (0/271)	liuqiang2270 2011-12-08	2011-12-08 17:45:29 by liuqiang2270
	[Gaussian] [已完結]過渡態(tài)求助，想知道有哪些問題，總是出現(xiàn)錯誤，請各位大俠幫忙指正下，不勝感激！ (1/328)	sigma92286 2011-12-07	2011-12-08 10:58:01 by xiongb123456
	[Gaussian] [已完結]小基組找TS大基組算能量 (2/812)	ryxiao 2011-12-05	2011-12-08 10:28:50 by xiongb123456
	[Gaussian] [已完結]急�。�！使用AV5Z基組計算Kr原子的單點輸入文件出錯 (4/1162)	lion0528 2011-12-06	2011-12-07 13:18:51 by lion0528
	[Gaussian] [已完結]算出的虛頻很多而且很大怎么辦怎么辦 ( 1 2 ) (12/1039)	wynli 2011-12-05	2011-12-07 13:12:48 by 靜水四葉草
	[其他] [專家] [已完結]文盲問一個雙光子吸收的問題 (4/1436)	jiewei 2011-12-06	2011-12-07 11:13:13 by jiewei
	[Gaussian] [已完結]高斯計算節(jié)點的問題 (3/1431)	gujing136 2011-12-06	2011-12-07 10:41:15 by zhangmt
	[Gaussian] [已完結]關于過渡態(tài)求助 (4/775)	luyating2005 2011-12-05	2011-12-07 10:41:14 by jinhua1983
	[Gaussian] [已完結]求助關于過渡態(tài) (0/223)	happy111839 2011-12-07	2011-12-07 10:05:22 by happy111839
	[Gaussian] [已完結][關貼]校正值求助 (0/246)	xchem6628 2011-12-07	2011-12-07 09:59:05 by xchem6628
	[Gaussian] [已完結]算bsse的時候，出現(xiàn)508錯誤，怎么辦 (1/256)	wynli 2011-12-01	2011-12-07 08:30:23 by wynli
	[Gaussian] [已完結]請大牛幫忙解決一下這個錯誤的問題 (2/676)	colinmacrean 2011-12-06	2011-12-07 00:29:58 by zhangmt
	[Gaussian] [已完結]溶劑效應模型求助 (2/499)	xiongb123456 2011-11-28	2011-12-06 21:42:20 by emmaxue
	[Gaussian] [已完結]如何Scan兩分子距離引起的能量差 (5/660)	Illusionist 2011-12-05	2011-12-06 14:33:53 by lion0528
	[Molpro/ ] [已完結]如何用molpro計算氫分子的激發(fā)態(tài)能量 (1/744)	wenwuxu8992 2011-12-06	2011-12-06 14:29:15 by 華南神獸
	[Gaussian] [已完結]gaussian09結構優(yōu)化問題 linux系統(tǒng) (0/295)	truelove 2011-12-06	2011-12-06 13:27:15 by truelove
	[Gaussian] [已完結][關貼]高斯如何可以比較酸性大小 (0/608)	kyber 2011-12-06	2011-12-06 12:01:20 by kyber
	[量化新手 ] [已完結]求會高斯的高手指點，求找過渡態(tài)的建議 (2/467)	神二代 2011-12-04	2011-12-06 00:29:59 by chuanan027
	[Gaussian] [已完結]高斯輸入文件出錯 (6/1628)	keepss 2011-12-04	2011-12-05 21:15:21 by xiongb123456
	[量化新手 ] [已完結]“DXMAXT = 0.01 * N”怎么理解？ (0/390)	gebitingqin 2011-12-05	2011-12-05 20:43:34 by gebitingqin
	[Gaussian] [已完結]求問 g09的 bashrc怎么寫 ( 1 2 ) (18/2154)	NUPT 2011-11-29	2011-12-05 16:43:43 by usoado
	[量化新手 ] [已完結]求ppt模板 (0/234)	嘯月天狼 2011-12-05	2011-12-05 15:50:32 by 嘯月天狼
	[ADF/Dal ] [已完結]ADF的并行計算 (2/467)	cindylove 2011-10-26	2011-12-05 10:53:54 by yjr
	[ADF/Dal ] [已完結]ADF 能量分解參數(shù)如何設置 (0/514)	slay3 2011-12-04	2011-12-05 09:37:54 by slay3
	[Gaussian] [已完結]電荷相同，多重度不同的兩個化合物可以做QST2找過渡態(tài)嗎？ (5/1381)	takeeasy123 2011-12-02	2011-12-05 09:01:43 by takeeasy123
	[NBO/AIM] [已完結]Error: Unrecognizable keyword >> CMO <<怎么辦？ (2/917)	若只如初見 2011-12-04	2011-12-05 08:09:31 by lihb734
	[Gaussian] [已完結]gaussview原子標號的問題 (3/1533)	ldzh0531 2011-12-02	2011-12-04 23:19:05 by 書萬里
	[Gaussian] [已完結]pcm 計算301出錯 (2/427)	liyongxiu 2011-12-03	2011-12-04 21:35:15 by liyongxiu
	[Gaussian] [已完結]該物質是對稱結構，計算結果卻是HOMO在左，LUMO在右。 (9/1656)	Illusionist 2011-12-03	2011-12-04 15:28:51 by Jasminer
	[Gaussian] [已完結]怎么樣計算分子的三重態(tài) (0/1129)	迷茫的小飛俠 2011-12-04	2011-12-04 10:43:06 by 迷茫的小飛俠
	[Gaussian] [已完結]B3LYP/6-311+G(2d),SDD ( 1 2 ) (10/1734)	xchem6628 2011-12-02	2011-12-04 07:35:14 by agent99
	[Linux應 ] [已完結]請問在linux下，ps x能發(fā)現(xiàn)有進程，但是top下卻沒發(fā)現(xiàn)。這是一種什么情況？繼第一帖 (3/1268)	gujing136 2011-12-02	2011-12-04 01:50:11 by pwzhou
	[Gaussian] [已完結]請問，質子的能量如何計算？ (2/1443)	wanlichuan 2011-12-03	2011-12-04 00:18:54 by wangth0921
	[其他] [已完結]求氫氧根和二價氧離子的HOMO能量 (0/945)	xjzhang 2011-12-03	2011-12-03 15:31:47 by xjzhang
	[Gaussian] [已完結]求助高斯自帶例子H3CO---->H2COH的計算 (2/870)	tiramisu0217 2011-11-15	2011-12-03 13:06:29 by tangbaowei
	[Gaussian] [已完結]TD計算出來的UV-VIS··搞不懂啊··求助 (2/544)	Illusionist 2011-12-03	2011-12-03 10:41:12 by 飄逸110
	[Linux應 ] [已完結]請問在linux系統(tǒng)下，ps x能發(fā)現(xiàn)有進程，但是top下卻沒發(fā)現(xiàn)。這是一種什么情況呢？ ( 1 2 3 ) (26/2253)	gujing136 2011-12-01	2011-12-03 09:37:10 by wikipad
	[Gaussian] [已完結]一個用內坐標寫的輸入文件錯誤，希望能有人指點我 (5/968)	takeeasy123 2011-11-30	2011-12-03 08:31:19 by takeeasy123
	[Gaussian] [已完結]新手求助ECD計算輸入語句 (1/486)	furoc 2011-12-02	2011-12-03 07:55:36 by furoc
	[Gaussian] [已完結]求問一般優(yōu)化小分子結構用什么方法和機組 ( 1 2 ) (10/4055)	rui_1 2011-06-15	2011-12-02 17:00:34 by yjcmwgk
	[量化新手 ] [已完結]磷光發(fā)射的計算 (1/614)	迷茫的小飛俠 2011-12-02	2011-12-02 16:44:23 by 迷茫的小飛俠
	[Gaussian] [已完結]L301錯誤 ( 1 2 ) (11/1278)	lion0528 2011-11-30	2011-12-02 14:29:56 by lion0528
	[Gaussian] [已完結]【求助】gview向Gaussian03提交submit是灰色是什么問題？ (1/456)	keepss 2011-12-02	2011-12-02 12:03:10 by keepss
	[Gaussian] [已完結]過渡態(tài)優(yōu)化出錯，急！ ( 1 2 ) (11/974)	sigma92286 2011-11-29	2011-12-02 10:46:02 by bluesky8588
	[NBO/AIM] [已完結]NBO計算出現(xiàn)的問題 (0/953)	huosuhong 2011-12-02	2011-12-02 08:49:57 by huosuhong
	[Gaussian] [已完結]Wrong number of Negative eigenvalues: Desired= 1 Actual= 2 (0/952)	ryxiao 2011-12-01	2011-12-01 23:30:05 by ryxiao
	[Gamess/ ] [已完結][關貼]用高斯計算NO2，N2O4,N2O5的穩(wěn)定性 (0/673)	etin 2011-12-01	2011-12-01 23:00:06 by etin
	[文章故事] [已完結]如何回復審稿人的有關熵的問題 (2/670)	hee_csu 2011-12-01	2011-12-01 20:26:27 by hee_csu
	[Gaussian] [已完結]如何用高斯程序計算不規(guī)則分子的分子半徑？ (0/284)	wutongshun 2011-12-01	2011-12-01 20:25:55 by wutongshun
	[Gaussian] [已完結]好心人有gaussian嗎 (0/205)	lplunanjing 2011-12-01	2011-12-01 17:41:59 by lplunanjing
	[量化新手 ] [已完結]求助，急急急�。。� (0/346)	jqdml 2011-12-01	2011-12-01 16:46:20 by jqdml
	[Gaussian] [已完結]不同多重度的反應物得到的產物應該是什么多重度？ (0/287)	lwg020810 2011-12-01	2011-12-01 15:42:09 by lwg020810
	[ADF/Dal ] [已完結]求ADF最新的license文件 (1/656)	handsome_yj 2011-11-30	2011-12-01 12:45:41 by handsome_yj
	[Gaussian] [已完結]大家動員一下幫忙把iop 翻譯成中文版吧 (4/1253)	I08140321 2011-11-30	2011-12-01 12:00:24 by I08140321
	[Gaussian] [已完結][關貼]ONIOM MM function not complete (0/1054)	mengyan142 2011-12-01	2011-12-01 11:02:22 by mengyan142
	[Gaussian] [已完結]L801錯誤，請高手解答 (1/722)	xuetong5207 2011-12-01	2011-12-01 09:59:04 by xuetong5207
	[量化圖形 ] [已完結]如何在gaussianview中設置超氧陰離子的參數(shù) (1/497)	zhangxin8852 2011-11-30	2011-12-01 09:43:54 by 心靜如水851
	[Gaussian] [已完結]gauss輸入文件中那個原子X是什么意思 (3/1025)	lstone03 2011-11-30	2011-12-01 08:28:40 by tudoudigua
	[Gaussian] [已完結]初學者求解關于高斯09 TDDFT 計算遇到的輸出問題 (0/526)	skkuwei 2011-11-30	2011-11-30 20:12:39 by skkuwei
	[Gaussian] [已完結]G03或G09中G3/99基組的使用 (0/271)	licaiqin 2011-11-30	2011-11-30 16:27:23 by licaiqin