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分类 共搜索到 11 个相关话题(最多显示前5000个) 作者 最后发表
文献求助 1篇英文文献
Longinfo'.1.'][info2]Quantumsecuredirectcommunicationwithhigh-dimensionquantumsuperdensecodinginfo'.2.'][info3]Phys.Rev.Ainfo'.3.'][info4]2005info'.4.'][info5]...
pinggogo1 2017-07-13 10:37
文献求助 On direct laser deposited Hastelloy X:dimension,surface ...
D.)[2]info'.1.'][info2]OndirectlaserdepositedHastelloyX:dimension,surfacefinish,microstructureandmechanicalpropertiesinfo'.2.'][info3]MATERIALSSCIENCEAND...
zhanglsyyu 2017-01-08 02:50
文献求助 Direct Access to Metal or Metal Oxide Nanocrystals ...
UteKolb§,XinliangFeng*?,andKlausMüllen*?info'.1.'][info2]DirectAccesstoMetalorMetalOxideNanocrystalsIntegratedwithOne-DimensionalNanoporousCarbonsfor...
banana092688 2016-04-05 01:06
量子化学 高斯优化S1态出现的问题!
2、执行语言#popttd=(nstates=20,singlet,direct)b3lyp/6-31g(d)结果高斯无法运行,不出现报错,停在一个地方,然后就退出了:Iteration6Dimension240NMult240Cannothandle2...
yezhonghua09 2015-12-16 07:16
文献求助 Iso-glucuronides
thoughdirectlinkagebetweensuchmodificationandtoxicsequelaeremainselusive.Analternativeview...xenobioticshasperhapsaddedthedimensionthatacylglucuronidation(and...
snmrna 2015-11-12 03:31
计算模拟 TD-OPT计算出错
输入:#b3lyp/6-31g(d)td=(nstates=30,root=2,direct)...Convergenceonwavefunction:0.000001000000000Iteration1Dimension52NMult52CISAXwillform52AOSSmatricesatonetime.Newstate1...
清风凌云007 2015-03-09 11:20
量子化学 优化最低单重激发态的问题。求指点,谢谢
改了又改,最后改为这个样子:%chk=test.chk%mem=2GB%nprocs=2#pb3lyp/6-31*opt=(MaxStep=10)td(nstates=20,singlets,root=1,direct)...没有这么长时间埃怎么解决,谢谢Iteration2Dimension80...
小范范1989 2014-12-16 08:40
量子化学 高斯优化t1也是出错
我优化t1也是出错,输入文件:%chk=test.chk%mem=2000MB%nprocs=2#pb3lyp/6-31*opttd(direct,triplets,nstates=6,root=1)test01N1....0.000000000652924Iteration13Dimension136NMult136...
小范范1989 2014-11-29 12:56
量子化学 荧光发射光谱计算!急急!
21.510835624117890Iteration2Dimension12...1days7hours41minutes25.9seconds.Filelengths(MBytes):RWF=316Int=0D2E=0Chk=20Scr=1加大了Nstaets,加了direct也不行,哪里出了问题,有好心的人...
floon 2014-11-23 02:04
论文翻译求助完结子版 direct dimension
核磁共振中indirectdimension如何翻译呢谢谢
xlingjuan 2012-05-31 02:39
量子化学 高斯计算分子光谱时出错
输入文件命令如下#pb3lyp/6-311g(d,p)td=(direct,singlet,nstates=40)test输出文件出错如下Convergenceonwavefunction:0....160dimensionofmatrix:168896Iteration1Dimension160...
realmanster 2012-05-19 01:14