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分类	共搜索到 72 个相关话题(最多显示前5000个)	作者	最后发表

文献求助	求论文一篇 214116(2025)...vibrational?redirectedFrom=fulltext	wjwang123	2026-02-10 04:54
文献求助	文献 1225–1228(1979)https://pubs.aip.org/avs/jvst/article-abstract/16/5/1225/835573/Relation-of-Si-H-vibrational-frequencies-to?redirectedFrom=fulltext	cxy3311	2023-09-06 01:06
量子化学	Harmonic and fundamental vibrational frequencies 区别。各位，新手请问：Harmonicandfundamentalvibrationalfrequencies有什么区别，之间有什么关系，用Gaussian怎么得到？	fengbo08321	2018-11-25 01:40
文献求助	求助文献Correlation between the Vibrational Frequencies of ... MasayukiNara?,HajimeTorii,andMitsuoTasumi*CorrelationbetweentheVibrationalFrequenciesoftheCarboxylateGroupandtheTypesofItsCoordinationtoaMetalIon:?...	liuliu513	2018-09-05 05:23
文献求助	For one paper in jpca StructuresandVibrationalFrequenciesofIronCarbonyls:?Fe(CO)5,Fe2(CO)9,andFe3(CO)12info'.2.'][info3]J.Phys.Chem.A,1998,102(27),pp5298–5304info'.3.'][info4]J.Phys....	xhyu	2017-12-01 04:08
绿色求助(高悬赏)	Vibrational Frequencies Calculation of Fluid Conveying Pipes... [info2]VibrationalFrequenciesCalculationofFluidConveyingPipesBasedonFluid-StructureCouplingandAcoustic-StructureCouplingModelsinfo'.2.'][info3]Applied...	supermyth	2017-11-14 01:03
文献求助	求助Elsevier Spectrochimica Acta Part A文献一篇 [info1]JamesO.Jenseninfo'.1.'][info2]Vibrationalfrequenciesandstructuraldeterminationsofhexamethylenetetraamineinfo'.2.'][info3]SpectrochimicaActaPartA:Molecular...	阿Q	2017-11-06 12:10
文献求助	求JACS一篇文章 Geometry,ElectronicTransitions,IonizationEnergies,andVibrationalFrequenciesofProtactinocene,Pa(η8-C8H8)2info'.2.'][info3]JACSinfo'.3.'][info4]1998info'.4.'][info5...	lastzealot	2017-10-19 04:29
文献求助	Efficient evaluation of analytic vibrational frequencies in ... evaluationofanalyticvibrationalfrequenciesinHartree-Fockanddensityfunctionaltheoryforperiodicnonconductingsystemsinfo'.2.'][info3]TheJournalofchemical...	kyuu	2017-08-21 12:03
文献求助完结子版	求助一篇ACS文献 Structures,VibrationalFrequencies,andNoncovalentInteractionsofLargeMolecularSystemsParametrizedforAllspd-BlockElements(Z=1–86)info'.2.'][info3]J.Chem.Theory...	gaoxichan	2017-07-26 07:55
量子化学	外文书籍求助：Tables of Molecular Vibrational Frequencies ... 由于所求助外文书籍不知页数，无法在相应的地方求助，故在此求助，望见谅！这是别人文献中引用的这本外文书籍的相关信息：Shimanouchi,T....	sophia26	2017-06-28 09:03
文献求助完结子版	求助一篇文献，谢谢！ vibrationalfrequencies,forcefieldsandmean-squareamplitudesofsilicondihalidesdeterminedfromabinitiocalculationsinfo'.2.'][info3]JournalofMolecularStructure:...	pppang2006	2017-05-31 09:45
文献求助	求助一篇文献，谢谢！ VibrationalFrequencies,ForceFieldsandMean-SquareAmplitudesofSiliconDihalidesDeterminedfromabinitioCalculationsinfo'.2.'][info3]PhysicalInorganicChemistryinfo...	pppang2006	2017-05-19 01:12
文献求助	Vibrational frequencies and normal modes of ... [info1]DavidE.Weeks.WilliamG.Harterinfo'.1.'][info2]Vibrationalfrequenciesandnormalmodesofbuckminsterfullereneinfo'.2.'][info3]ChemicalPhysicsLettersinfo'.3.']...	pfandlox1314	2017-02-24 01:43
文献求助	求一篇JACS Geometry,ElectronicTransitions,IonizationEnergies,andVibrationalFrequenciesofProtactinocene,Pa(η8-C8H8)2info'.2.'][info3]J.Am.Chem.Soc.info'.3.'][info4]1998info'....	lastzealot	2017-01-03 01:52
文献求助	求助文献Force field for computation of conformational ... forcomputationofconformationalenergies,structures,andvibrationalfrequenciesofaromaticpolyestersinfo'.2.'][info3]JournalofComputationalChemistryinfo'.3.'][info4]...	iamlienze	2016-12-14 09:25
文献求助	求助sd一篇 surfaces,vibrationalstatesandpredictedpurerotationaltransitionfrequenciesinfo'.2.'][info3]SpectrochimicaActaPartA:MolecularandBiomolecularSpectroscopyAvailable...	kent1022	2016-11-21 02:47
文献求助	Structure and vibrational frequencies of 1-naphthaldehyde ... [info2]Structureandvibrationalfrequenciesof1-naphthaldehydebasedondensityfunctionaltheorycalculationsinfo'.2.'][info3]SpectrochimicaActaPartA:Molecularand...	小灵鱼儿	2016-11-16 06:14
文献求助	求助一篇文献，谢谢！ thetautomerism,structures,andvibrationalfrequenciesofthephosphaalkenesXP=C(CH3)2(X=H,F,Cl,Br,OH,Ar(F)(Ar(F)=2,6-(CF3)2C6H3)).info'.2.'][info3]JPhysChemA.info'.3....	pppang2006	2016-09-16 08:02
文献求助	求助一篇1980年文献 vibrationalfrequenciesinfo'.2.'][info3]SolidStateCommunicationsinfo'.3.'][info4]1980info'.4.'][info5]Volume33,Issue4,January1980,Pages403-405info'.5.'][info6]...	小小风筝	2016-09-11 03:50
文献求助完结子版	文献 I.SitestabilityandvibrationalfrequenciesofCOonNi(111),Ni(110)andNi(110)info'.2.'][info3]SurfaceScienceinfo'.3.'][info4]1990info'.4.'][info5]1-2，210-223info'...	海绵宝宝。	2016-05-31 07:53
文献求助	vibrational frequencies,and oinvestigationofthestructure,vibrationalfrequencies,andintensitiesofHO2andHOClinfo'.2.'][info3]J.Chem.Phys.info'.3.'][info4]1979info'.4.'][info5]71,2150info'...	guixiu2010A	2016-05-07 12:09
文献求助	求助文献一篇，谢谢！ spectroscopyofwater:OHstretchfrequencies,transitiondipoles,andintermolecularvibrationalcouplingconstantsinfo'.2.'][info3]J.Chem.Phys.info'.3.'][info4]2013info'....	顺其自然1	2016-04-06 08:16
论文翻译	化学论文部分内容 Gaussian校正因子求助翻译万分感谢！ Popleetal.haveshownthatB-LYP/6-31G(d)harmonicvibrationalfrequenciesreproduceobservedfundamentalswithsurprisingaccuracy.Theyfound,forexample,anaverageerrorof...	紫色罗兰1234	2016-03-06 11:47