AndreasKlamtCOSMO-RS:FromQuantumChemistrytoFluidPhaseThermodynamicsandDrugDesignNA2005https://www.sciencedirect.com/book/9780444519948/cosmo-rsNAPDFNA

ThomasGerlachab,SimonMüllera,AndrésGonzálezdeCastillaa,IrinaSmirnovaaAnopensourceCOSMO-...

2021,9,46,15525–15536ScreeningIonicLiquidsbytheCOSMO-RSMethodforthePreparationofAntibacterialCelluloseFibersACSSustainableChem.Eng.20212021,9,46,15525–1553610.1021/...

KlamtATheCOSMOandCOSMO-RSsolvationmodelsWIREsComputMolSci2011699–709https://doi.org/10.1002/wcms.56

PalomarJ,FerroVR,TorrecillaJS,etal.DensityandmolarvolumepredictionsusingCOSMO-RSforionicliquids.AnapproachtosolventdesignIndustrial&EngineeringChemistryResearch200746(18):6041-...

安装了这个软件，不知道怎么去操作，课题组也没有基础，求大神指导一下，怎么去筛选溶剂啊这些的。

COSMO-RS和cosmotherm的安装包有没有，有的话发我一份，非常感谢，邮箱：1115054153qq.com

有没有COSMO-RS软件下载包，急求

fromDFT-D3andCOSMO-RSsolvationmodelsinfo'.2.'][info3]DALTONTRANSACTIONSinfo'.3.'][info4]2017info'.4.'][info5]1-2info'.5.'][info8]ScienceDirect(Elsevier)(Cell...

请问大家有没有这本关于COSMO—RS的图书资源，麻烦分享一下吧，COSMO-RSfromQuantumChemistrytoFluidPhaseThermodynamicandDrugDesign，太感谢了[发自小木虫android...

ModelforRealisticSolvation(COSMO-RS)andThermodynamicProcessSimulationsinfo'.2.'][info3]nd.Eng.Chem.Resinfo'.3.'][info4]2017info'.4.'][info5]56(3),pp788–798info...

COSMO-RS中将离子液体视为电中性模型，是怎么计算的？如果将低共熔视为电中性模型，怎么计算？

[info1]AndreasKlamtinfo'.1.'][info2]COSMO-RSinfo'.2.'][info3]Elsevierinfo'.3.'][info4]26thJuly2005info'.4.'][info5]...

本人想对2015年ZhouTeng的文章：IntegratedSolventandProcessDesignExemplifiedforaDiels-AlderReaction进行重复性计算，一开始用了ADF（SCM）这个软件里的COSMO-RS模块进行了计算，数据库...

[info1]ChenB.,GuoZ.,TanT.,XuX....TheoreticalcharacterizationbyCOSMO-RSinfo'.2.'][info3]Biotechnol.Bioenginfo'.3.'][info4]2008info'.4.'][info5]99,18-29info'.5.']

COSMO-RSinfo'.2.'][info3]Ind.Eng.Chem.Res.info'.3.'][info4]2016info'.4.'][info5]55(3),pp788–797info'.5.'][info6]10.1021/acs.iecr.5b04152info'.6.'][info7]...

systemsusingthepredictivethermodynamicmodelCOSMO-RSinfo'.2.'][info3]FluidPhaseEquilibriainfo'.3.'][info4]2017info'.4.'][info5]437:23-33info'.5.']

[info1]R.AnantharajandTamalBanerjee*info'.1.'][info2]COSMO-RS-BasedScreeningofIonicLiquidsasGreenSolventsinDenitrificationStudiesinfo'.2.'][info3]Ind.Eng.Chem....

[info1]AndreasKlamtinfo'.1.'][info2]TheCOSMOandCOSMO-RSsolvationmodelsinfo'.2.'][info3]computationalmolecularscienceinfo'.3.'][info4]2011info'.4.'][info5]...

C2H2/C2H4separationbyCOSMO-RSandexperimentsinfo'.2.'][info3]AIChEJournalinfo'.3.'][info4]Volume61,Issue6June2015Pages2016–2027info'.4.'][info5]Volume61,...

EtherMetabolitesBasedonCalculatedBoilingPointsfromCOSMO-RS,ExperimentalRetentionTimes,andMassSpectralFragmentationPatternsinfo'.2.'][info3]Anal.Chem.,info'.3...

求助使用Dmol3模块怎么生成COSMO文件，Dmol3模块中是否可以进行COSMO-RS计算热力学性质？如果这方面的教程吗

298.15K:ExperimentandCOSMO-RSPredictioninfo'.2.'][info3]ICGSCEinfo'.3.'][info4]2015info'.4.'][info5]25-32info'.5.'][info6]10.1007/978-981-287-505-1_4info'.6.']...

RT，哪位教下我怎么用高斯输出cosmo-rs计算所需的sigma-profile。我采用一下gjf想得到丙烷的sigma-profile。但是好像没有输出文件。这是应该怎么写呢？有几步骤呢？chk=cosmo.chk#bp86/6-31...

HydrophobicIonicLiquids:ExperimentalStudyandCOSMO-RSPredictioninfo'.2.'][info3]J.Chem.Eng.Datainfo'.3.'][info4],2015info'.4.'][info5],60(10),pp2926–2936info'.5...