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分类	共搜索到 21 个相关话题(最多显示前5000个)	作者	最后发表

文献求助	aip数据库The Journal of Chemical Physics杂志文献一篇。 [info1]P.JeffreyHayWillardR.Wadtinfo'.1.'][info2]Abinitioeffectivecorepotentialsformolecularcalculations.PotentialsforthetransitionmetalatomsSctoHginfo'.2...	xiayu1985	2017-06-06 09:52
文献求助完结子版	AIP数据库The Journal of Chemical Physics2001年文献一篇。 relativisticeffectivecorepotentials:TheatomsGa–KrandIn–Xeinfo'.2.'][info3]TheJournalofChemicalPhysics;doi:http://dx.doi.org/10.1063/1.1337864info'.3.'][info4...	xiayu1985	2017-06-03 03:37
文献求助	文献求助！ effectivecorepotentialsformolecularcalculations.PotentialsforKtoAuincludingtheoutermostcoreorbitalsinfo'.2.'][info3]TheJournalofChemicalPhysicsinfo'.3.']...	zr_2014	2017-01-05 03:30
专业外语	求翻译一句话 WhenstudyingthemodelcatalystAinthe...witheffectivecorepotentials(ECPs))withtheSDDbasissetsforrhodiummandthe6-31G*2basissetsforotherrelements(calleddBS1)	何彦辉	2016-04-25 02:48
文献求助	jcp文章 [info1]P.JeffreyHay，WillardR.Wadtinfo'.1.'][info2]Abinitioeffectivecorepotentialsformolecularcalculations.PotentialsforKtoAuincludingtheoutermostcore...	hongsheng419521	2015-12-03 03:10
文献求助	Accuracy of Effective Core Potentials and Basis Sets for ... EffectiveCorePotentialsandBasisSetsforDensityFunctionalCalculations,IncludingRelativisticEffects,AsIllustratedbyCalculationsonArsenicCompoundsinfo'.2.']...	chordsword	2015-11-11 03:37
文献求助	[求助]求文献一篇 [info2]Abinitioeffectivecorepotentialsincludingrelativisticeffects.V.SCFcalculationswithω–ωcouplingincludingresultsforAu2+,TlH,PbS,andPbSeinfo'.2.']...	zyr3365754	2015-08-25 03:08
文献求助完结子版	Ab initio effective core potentials for molecular ...	匿名	2015-01-21 12:06
文献求助完结子版	Ab initio effective core potentials for molecular ...	匿名	2015-01-20 01:41
文献求助完结子版	Ab initio effective core potentials for molecular ...	匿名	2015-01-20 01:36
文献求助完结子版	Ab initio effective core potentials for molecular ...	匿名	2014-09-12 03:58
文献求助完结子版	Ab initio effective core potentials for molecular ...	匿名	2014-09-12 01:30
文献求助完结子版	Ab initio effective core potentials for molecular ...	匿名	2014-09-12 01:30
文献求助完结子版	Ab initio effective core potentials for molecular ...	匿名	2014-09-12 01:00
文献求助完结子版	Ab initio effective core potentials for molecular ...	匿名	2014-05-09 02:20
文献求助完结子版	Ab initio effective core potentials for molecular ...	匿名	2014-05-09 02:29
文献求助完结子版	Revised Basis Sets for the LANL Effective Core Potentials	匿名	2014-05-08 03:38
文献求助完结子版	Ab initio effective core potentials for molecular ...	匿名	2014-05-08 03:58
量子化学	Effective core potentials 各位好，我现在想用gaussian模拟Pd团簇，文献上用的是valencebasissets基组，参考的Effectivecorepotentials（见附件的图片），但是我看了说明书还是写不好gen的基组，请高手指点一下，或给...	4010808	2012-10-13 01:21
文献求助完结子版	The application of effective core potentials in heavy atom ...	匿名	2012-05-05 02:41
量子化学	关于赝势基组SDD effective core potentials accompanying VDZ ... 文献中计算Ru对于基组的描述是这样一句话：SDDeffectivecorepotentialsaccompanyingVDZbasisset。不知道哪位高手知道此处VDZ基组指的是什么呢？要是cc-pvdz也无法计算Ru埃这个基组如何输入...	acnes	2012-02-24 04:54