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分类	共搜索到 578 个相关话题(最多显示前5000个)	作者	最后发表

文献求助	求助文献Ab initio molecular dynamics study of an aqueous ... GiuseppeCassone,FabrizioCreazzo,PaoloV.Giaquinta,FranzSaijaandA....	cedar8630	2025-09-01 01:42
文献求助	Ab initio study of transition paths between(meta)stable ... Abinitiostudyoftransitionpathsbetween(meta)stablephasesofNbandTa-substitutedNbSusanneKunzmann,ThomasHammerschmidt,GabiSchierning,andAnnaGrünebohmPhys.Rev....	发文拖拉机	2025-03-19 03:03
文献求助	Electronic properties of cubic and ...from ab initio calcul P.K?ckell,B.Wenzien,andF.BechstedtElectronicpropertiesofcubicandhexagonalSiCpolytypesfromabinitiocalculationsPhysicalReviewBPublished15October1994Phys.Rev.B50,10761–Published...	study_tang	2024-11-12 09:25
绿色求助(高悬赏)	Ab initio supported study on the selective adsorption-... JieZhanga,YuX.Xua,ZheR.LiuAbinitiosupportedstudyontheselectiveadsorption-inducedmicrostructuraldifferenceof(Ti,Al)N/TiNand(Ti,Al)N/ZrNmultilayersAppliedSurfaceScienceVolume636,...	zzzcwxie	2024-03-08 08:02
文献求助	Ab Initio Study of NaMFe(MoO4)3 A.V.Serdtsev,N.I.MedvedevaAbInitioStudyofNaMFe(MoO4)3(M=Mn,Fe,Co,Ni,Zn):ElectronStructure,SodiumDiffusionandPotentialsPhysicsoftheSolidState202264,215-221...	jinbao2000	2023-07-23 12:06
文献求助	a study from ab initio Debye- AuthorlinksopenoverlaypanelRuiWuabYa-PingWangaLinShaoaWeiWangaBi-YuTangaThermodynamicpropertyofternarycompoundMgCaSi:astudyfromabinitioDebye-Grü...	wangsheng7073	2021-06-05 01:29
文献求助完结子版	Ab initio study of electronic structure and enhancement of ... RiyajulIslam,J.P.BorahAbinitiostudyofelectronicstructureandenhancementofmagnetocrystallineanisotropyinMnFe2O4forpermanentmagnetapplicationJOURNALOFMAGNETISMANDMAGNETICMATERIALS...	lzbgj	2020-03-29 08:48
文献求助	Ab-initio study of long-period superstructures and anti-... Ghosh,PSAb-initiostudyoflong-periodsuperstructuresandanti-phaseboundariesinAl-richγ-TiAl(L10)-basedalloysPhilosophicalMagazinePages1202-1218\|Received08May2013Pages1202-1218\|...	simit	2018-11-09 06:05
文献求助	Ab initio study of single-wall BC 2 N nanotubes Pan,H.;Feng,Y.;Lin,Abinitiostudyofsingle-wallBC2NnanotubesPhys.Rev.B11July200674,045409...	baizhenxu	2018-07-31 07:39
文献求助	Ab initio study of the electronic structure,magnetic and ... YiXiao;YangLiu;NtiFrederick;FuChunZhangAbinitiostudyoftheelectronicstructure,magneticanddynamicspropertiesinLiMO2andNaMO2(MVandCr)...	xiewuhua	2018-03-13 03:42
文献求助	Ab-initio study of the structural,electronic,elastic and ... A.?yigör,M.Özduran,M.Ünsal,O.Örnek&N.Ar?kanAb-initiostudyofthestructural,electronic,elasticandvibrationalpropertiesofHfX(X=Rh,RuandTc)...	梦想520	2018-01-19 01:43
文献求助	Ab initio study of the electronic and optical properties of ... Shah,S.S.A.,Khan,A.,Khan,S.H.,Muhammad,N.,Khan,S.A.,Ashiq,M.G.,&Murtaza,G.AbinitiostudyoftheelectronicandopticalpropertiesofAg3AuS2polymorphs.MaterialsResearchExpress20174(8),...	sally15201	2018-01-11 03:00
文献求助	文献求助 CH3OandCH3Sradicalmolecules:anabinitioelectronicstructurestudyinfo'.2.'][info3]Phys.Chem.Chem.Phys.,info'.3.'][info4]2017,info'.4.'][info5]19,31245-31254info'...	孙1986	2017-12-09 02:10
文献求助完结子版	求助文献 Fran?oisinfo'.1.'][info2]Abinitiocrystalstructureofnickel(II)hydroxy-terephthalatebysynchrotronpowder...studyinfo'.2.'][info3]SolidStateSciencesinfo'.3.']...	stonegold	2017-12-08 07:57
文献求助	求助一篇 Astudyintermsofabinitiobasedpotentialenergysurfacesinfo'.2.'][info3]MolecularPhysicsAnInternationalJournalattheInterfaceBetweenChemistryandPhysicsVolume...	kent1022	2017-12-08 05:06
文献求助	求助文献，非常感谢各位大神 magneticisomersofsmallPdandRhclusters:anabinitiodensityfunctionalstudyinfo'.2.'][info3]JournalofPhysics:CondensedMatterinfo'.3.'][info4]2005info'.4.']...	记忆中的红罂	2017-12-05 08:16
文献求助	Ab Initio Study of Magnetic Properties of SiC-Based Diluted ... Chunginfo'.1.'][info2]AbInitioStudyofMagneticPropertiesofSiC-BasedDilutedMagneticSemiconductors.KeyEngineeringMaterialsinfo'.2.'][info3]KeyEngineering...	linlonghao	2017-12-03 02:54
文献求助	急求一篇文献，谢谢各位大神了 acylphloroglucinols:anabinitioandDFTstudyinfo'.2.'][info3]MolecularPhysicsinfo'.3.'][info4](2017),info'.4.'][info5]115(17-18),2254-2266info'.5.'][info6]10.1080/...	dbjherty	2017-11-30 02:23
绿色求助(高悬赏)	求文献一篇 [info1]T.Káňainfo'.1.'][info2]Abinitiostudyofphasetransformationsintransition-metaldisilicidesinfo'.2.'][info3]Intermetallicsinfo'.3.'][info4]2011info'.4.']...	PYLL	2017-11-24 01:08
文献求助	Ab initio study of structural and electronic properties of ... [info2]Abinitiostudyofstructuralandelectronicpropertiesofzigzaggraphenenanoribbonsonhexagonalboronnitrideinfo'.2.'][info3]JournalofStructuralChemistryinfo...	woshilaoer8381	2017-11-22 06:59
文献求助	Ab initio study of electronic and magnetic properties in Ni-... YinTai)[2,3]info'.1.'][info2]AbinitiostudyofelectronicandmagneticpropertiesinNi-dopedWS2monolayerinfo'.2.'][info3]AIPADVANCES卷:6期:8文献号:085112出版年:...	physiclin	2017-11-03 03:32
文献求助	International Journal of Quantum Chemistry一篇文献求助 MishraPinfo'.1.'][info3]InternationalJournalofQuantumChemistry...	挚爱紫金	2017-10-16 04:10
文献求助	A multinuclear NMR spectral study of parent azoles and ... AmultinuclearNMRspectralstudyofparentazolesandbenzazoles:ExperimentalresultsandGIAOabinitiocalculations[info1]Claramunt,RM(Claramunt,RM);Lopez,C(Lopez,C);Sanz,D...	lddxhjh	2017-10-12 01:34
文献求助	求文献一篇 studyofsemiempirical,abinitio,andDFTmethodsinevaluatingmetal–ligandbondstrength,protonaffinity,andinteractionsbetweenfirstandsecondshellligandsinZn-...	liweiyi123456	2017-10-09 04:25
文献求助	文献求助，谢谢！ spectroscopicandconfigurationalstudy,andabinitiocalculationsofnewdiazaphospholanesinfo'.2.'][info3]ChemicalPapersinfo'.3.'][info4]2011-07-23info'.4.'][info5]65...	dream727	2017-09-23 07:17