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分类	共搜索到 54 个相关话题(最多显示前5000个)	作者	最后发表

量子化学	计算dppf与醋酸钯螯合物出现的错误 Charge=0Multiplicity=1CC1B1C2B21A1C3B32A21D1C4B43A32D2C4B53A42D3C6B64A53D4C6B74A63D5C7B86A74D6C9B97A86D7Fe7B106A94D8P1B112A103D9P8B126A114D10C13B138A126D11H14B1413A138D12H14B...	wkfg	2022-06-17 07:36
量子化学	求助有关贋式机组的问题,有输入输出文件 salen11CC1B1C2B21A1C3B32A21D1C4B43A32D2C5B54A43D3N2B61A56D4N3B72A61D5C7B82A71D6C8B93A82D7C9B107A92D8C10B118A103D9C11B129A117D10C13B1311A129D11C14B1413A1311D12C15B1514A1413D13C...	phoenixrxh	2018-03-16 07:42
文献求助	肿瘤患儿外周中心静脉导管感染的相关因素分析 [info7]...sc_ks_para=q%3D%E8%82%BF%E7%98%A4%E6%82%A3%E5%84%BF%E5%A4%96%E5%91%A8%E4%B8%AD%E5%BF%83%E9%9D%99%E8%84%89%E5%AF%BC%E7%AE%A1%E6%84%9F%E6%9F%93%E7%9A%84%E7%9B%B8%E5%85%B3%...	lz2735	2017-11-15 08:16
量子化学	虚原子，固定3个原子在同一条直线下进行优化，然后失败了 31g(d)geom=connectivityfreqxxxxxx11CC1B1C2B21A1C3B32A21D10C4B43A32D20C5B54A43D30C4B63A52D40C7B74A63D50C8B87A74D60C7B98A83D70H1B102A93D80H2B111A106D90H5B124A113D100H6B135A124D...	胡姐姐￥	2017-10-17 10:41
文献求助	在线等 jsessionid=A4BAA17430D331B1E06C90CF88CD6C6B.f02t01?systemMessage=Wiley+Online+Library+will+be+unavailable+on+Saturday+7th+Oct+from+03.00+EDT+%2F+08%3A00+BST+%2F+12%3A30+IST+%2F...	xuyonghao	2017-09-25 07:36
文献求助	Application of multi-scale chirplet path pursuit and ... 331(22):4971–4986info'.5.']...[info7]http://xueshu.baidu.com/s?wd=paperuri%3A(2165b6a039ab25a2d5edccc84a4fff6d)&filter=sc_long_sign&tn=SE_baiduxueshu_c1gjeupa&ie=utf-8&sc_ks_...	离子木木	2017-01-18 04:13
文献求助	文献求助 [info1]VCampagna-Slater，MSchapirainfo'.1.'][info2]FindingInspirationintheProteinDataBanktoChemicallyAntagonize...[info6]10.1002/minf.201000018info'.6.'][info7]...	guojialin	2016-12-28 12:56
文献求助	文献 [info1]M.Iwata,H.Nagase,T.EndoandH.Uedainfo'.1.'][info2]Glimepirideinfo'.2.'][info3]ActaCrystallographicaSection...[info6]10.1107/S0108270196002363info'.6.'][info7]...	辫子人	2016-12-06 01:20
文献求助	高品质南极磷虾虾油工业化生产技术研究 [info3]http://xueshu.baidu.com/s?wd=paperurib5d1d1e5df332e08ce9397eb619ca331)&filter=sc_long_sign&sc_ks_para=q%3D%E9%AB%98%E5%93%81%E8%B4%A8%E5%8D%97%E6%9E%81%E7%A3%B7%E8%99%...	wangmenghua	2016-12-01 04:17
文献求助	【文献求助】版2016年第10月月冠军和周冠军获奖会员名单 [b]【文献求助】版2016第10月月冠军和周冠军获奖会员名单...14325tsyinkang13326majia_jiama12127maoking12068...	hotbird007	2016-11-14 01:10
文献求助	求助一篇专业文献 [info7]http://xueshu.baidu.com/s?wd=paperuria6d02cf8258582bb297b06e98f331bf4)&filter=sc_long_sign&sc_ks_para=q%3D沸腾传热系数的简捷测算&tn=SE_baiduxueshu_c1gjeupa&ie=utf-8&sc...	xjscom	2016-09-28 04:53
晶体	Checkcif时，发现晶体有一个B类错误，求修正方法，谢谢啦 type_scat_source'C''C'0.00330.0016'InternationalTablesVolCTables4.2.6.8and6.1.1.4''H''H'0.00000.0000'...0.03510.27690.048Uiso11calcR.C38C1.02304(17)0.08048(14)0....	应用化学A	2016-07-08 07:52
文献求助	Sampling and analysing mixtures of sulphate,sulphite,... [info1]CarlO.Moses,D.KirkNordstrom,AaronL.Millsinfo'.1.'][info2]Samplingandanalysingmixturesofsulphate,...[info5]331-339.info'.5.'][info6]doi:10.1016/0039-9140......	一世繁华伤	2016-05-19 06:16
文献求助	求助SPIE论文一篇非常感谢[info1]EdwardA.Gluszak;StevenHinckley;KamranEshraghianinfo'.1.'][info2]Determinationofjunctiondepthandrelated...[info6]doi:10.1117/12.523536info'.6.'][info7]...	houhuiyao	2016-04-06 07:35
数学	【2016新书】《Disaffection with School Mathematics》 978-94-6300-331-5(Online)[eimg]2016/0229/w87h1365181_1456678256_317.jpg\|bcs\|1...[b]...	江南的竹	2016-02-28 04:49
量子化学	linux投入计算直接死掉，求帮助 d01CC1B1C2B21A1C3B32A21D1C2B41A33D2C5B52A41D3C6B65A52D4C7B76A65D5C8B87A76D6C9B98A87D7C8B107A96D8C1B113A102D9C11B128A117D10C13B1311A128D11C14B1413A1311D12C15B1514A1413D13C16B...	小妹妹南京	2016-01-05 02:15
微生物	《Environmental Microbiology:Fundamentals and Applications》 EnvironmentalMicrobiology:FundamentalsandApplicationsMicrobialEcology...[eimg]2015/0914/w73h1365181_1442195828_331.jpg\|bcs\|1...[b]...	江南的竹	2015-09-19 04:52
量子化学	谁能帮我扫描验证下这三个结构？困扰很久了 31g(d)nosymmTitleCardRequired01CC1B1N2B21A1C3B32A2120.00C2B41A33D20C5B52A41D30N6B65A52D40C7B76A65D50C7B86A75D60C1B92A86D70C10B101A92D80C11B1110A101D90C11B1210A111D100S10B131A...	xzh410512206	2015-09-12 01:42
硕博家园	自己从事科研以来的英文写作总结，希望对写SCI的你有帮助(特别是... parts分割6.acharacteristicv-shapegliding有…特征7.ThepresenceoftheseSFsisobservedto...垂直耦合47.samplecshowsthehighestvalue(75meV)followedbysamplebwith60...	shaoyin45	2015-07-19 01:16
量子化学	gauss优化问题 44RuRu1B1Cl2B21A1P1B32A23D1P1B42A34D2P2B51A44D3P1B62A56D4O4B71A62D5O4B81A78D6O4B91A88D7O5B101A98D8O5B111A1011D9O5B121A1111D10O4B131A1211D11H14B144A131D12O6B152A141D13O6B162A151...	122ybb	2015-03-11 07:04
第一性原理	优化成功，但计算总是失败，求高人指点 3.000ALatticeparameters(A)CellAnglesa=12.482600alpha=90....MemoryDisk\|Modelandsupportdata763.8MB811.7MB\|Electronicenergyminimisationrequirements322.6MB190.8MB\|-\|Approx....	wangblackfir	2015-01-15 07:57
计算模拟	哪位大神帮帮忙啊？ 179.63937411D7096.10592925D71151.81532839141.5162.0641.0291.5322.0531.0351.561.571.5451.581.55211.5691.5361.57231.5691.5891.5521.0910111.5201.5721.011131.5441.512131.5502.0671....	gnnuwwh1992	2014-12-19 11:09
量子化学	gaussian计算化合物HOMO->LUMO的Main Configurations 我利用gasussian计算了化合物的垂直跃迁能#ptd=(singlets,nstates=15,root=1)b3lyp/6-31g(d)geom=connectivity，主要想分析化合物的...2480.18979ExcitedState6:Singlet-A3.9713eV312.20nmf=0....	lutx0405	2014-08-11 07:43