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分类 共搜索到 113 个相关话题(最多显示前5000个) 作者 最后发表
文献求助 Electrostatic Potential as Solvent Descriptor to Enable ...
YanzhouWu,QiaoHu,HongmeiLiang,AipingWang,HongXu,LiWang,...
 芹菜豆芽菜 2025-07-15 02:23
文献求助 Electrostatic Potential as Solvent Descriptor to Enable ...
YanzhouWu,QiaoHu,HongmeiLiang,AipingWang,HongXu,LiWang,...
 fanchenm 2023-04-19 11:19
文献求助 Numerical study on electrostatic potential distribution of ...
MinHeNumericalstudyonelectrostaticpotentialdistributionoflargecylindricaloiltanksJournalofElectrostaticsVolume75,June2015Pages77-84
 jiapeng 2022-04-07 01:10
第一性原理 求助VASP输出文件中average(electrostatic)potential at core的...
求助各位，请问VASP输出文件中average(electrostatic)potentialatcore的计算公式和物理意义是什么？在手册里面没有找到详细的说明和公式，感谢！
 socool_82 2020-02-29 08:47
文献求助 Electrostatic potential surface analysis of the transition ...
33(30):8890-6.https://www-ncbi-nlm-nih-gov-mc.vtrus.net/pubmed/?term=Electrostatic+potential+surface+analysis+of+the+transition+state+for+AMP+nucleosidase+and+forACS急需帮助...
 zhaowenjing 2018-11-20 04:23
第一性原理 求助macroscopic average electrostatic potential问题
我目前知道如何从LOCPOT中获取planeaveragedpotential，求助如何或得macroscopicaverageelectrostaticpotential？非常感谢。
 zlwted 2018-04-16 09:00
文献求助 A New Split Charge Equilibration Model and...Electrostatic Potential Fitted
MykhayloKrykunov,ChristopherDemone,JasonW.-H.Lo,andTomK.WooANewSplitChargeEquilibrationModelandREPEATElectrostaticPotentialFittedChargesforPeriodicFrameworkswithaNetChargeJCTC...
 simulight 2018-03-18 03:26
文献求助 求文献一篇
[info1]JANES.MURRAY,PETERPOLITZERinfo'.1.'][info2]Theelectrostaticpotential:anoverviewinfo'.2.'][info3]COMPUTATIONALMOLECULARSCIENCEinfo'.3.'][info4]/ALLISSUES/...
 liweiyi123456 2017-11-18 08:58
文献求助 Asano K.Electrostatic potential and field in a cylindrical ...
[info1]AsanoK.info'.1.'][info2]Electrostaticpotentialandfieldinacylindricaltankcontainingchargedliquidinfo'.2.'][info3]ProceedingsoftheInstitutionof...
 probe_z 2017-08-22 02:47
文献求助 1 journal paper please
[info2]Three-dimensionalquantificationofcompositionandelectrostaticpotentialatindividualgrainboundariesindopedceriainfo'.2.'][info3]Journalofmaterials...
 hsbchsbc 2017-07-31 02:57
文献求助 文献求助
无[info1]JerzyCioslowskiinfo'.1.'][info2]Electrostaticpotential,polarization,shielding,andchargetransferinendohedralcomplexesoftheC60,C70,C76,C78,C82,andC84...
 zhangsong8836 2017-07-18 01:28
文献求助 求助外文文献
Synthesis,LigandBindingStudiesandComparisonofMolecularElectrostaticPotentialMapsinfo'.2.'][info3]Bioorganic&MedicinalChemistryLetters,info'.3.'][info4]1999,...
 heye007 2017-07-13 05:57
文献求助 求文献一篇
Roettiinfo'.1.'][info2]OntheelectrostaticpotentialincrystallinesystemswherethechargedensityisexpandedinGaussianfunctionsinfo'.2.'][info3]MolecularPhysics...
 1160193784 2017-06-16 02:08
资源求助 求翻译摘要内容
massanalyzerthatemploystrappingofionsinelectrostaticfields.Tightintegrationwiththeion...andperspectivesofOrbitrapMS.Weillustratethecompellingpotentialof...
 莲花的泪 2017-05-07 04:32
资源求助 关于Orbitrap MS，求翻译，
employstrappingofionsinelectrostaticfields.Tightintegrationwiththeioninjectionprocess...andperspectivesofOrbitrapMS.Weillustratethecompellingpotentialof...
 莲花的泪 2017-05-05 10:23
文献求助 J.Phys.Chem.A,2007,111(43),pp 11134–11140
atomicelectrostaticpotentialinfo'.2.'][info3]TheJournalofPhysicalChemistryAinfo'.3.'][info4]2007info'.4.'][info5]111(43):11134-11140info'.5.'][info6]DOI:10.1021...
 zyqlyg 2017-04-15 08:33
论文投稿 审稿意见请教，仿生合成碳酸钙方面，谢谢！
“molecularrecognition”-“electrostaticinteraction”-“formationnucleus”-“aggregation”-...withnegativecharges.TheZetapotentialofNHCSisnegative(-10.8mV)[26],...
 xuzhipiao 2017-03-26 12:24
文献求助 文献求助
theiruniqueelectrostaticpropertiesusingzetapotentialmeasurements[J]info'.2.'][info3].JournalofAlloysandCompounds,info'.3.'][info4]2016,info'.4.'][info5]679:470...
 ZYHappygirl 2017-03-13 12:26
文献求助 求EJMC文献一篇
Inhibitors:2.ApplicationofElectrostaticPotentialMap(EPM)andStructure-BasedModelingtoImidazo[1,2-a]pyridineDerivativesasAnti-TumorAgentsinfo'.2.'][info3]Journalof...
 lijunking 2016-12-12 12:36
文献求助 求1994Chemical Physics Letters一篇
[info2]TheCo+·CO2electrostaticcomplex:Geometryandpotentialinfo'.2.'][info3]ChemicalPhysicsLettersinfo'.3.'][info4]1994info'.4.'][info5]Volume227,Issue6,23...
 trophy2 2016-12-05 05:58
计算模拟 小分子electron population和electrostatic potential计算求助
我想计算几个小分子,比如CH2=CHCH=O,的各个原子上的electrondensity和electrostaticpotential.小分子环境为水，310K.本人是computationalchemistry的小白，请大神指导。
 zhang900411 2016-11-28 05:20
文献求助完结子版 急求ACS文献一篇，有链接，谢谢！
ElectrostaticEffectsinQM/MMStudiesofEnzymaticReactions:ApplicationoftheSolvatedMacromoleculeBoundaryPotentialinfo'.2.'][info3]J.Chem.TheoryComput.info'.3.']...
 syx_sit 2016-10-22 01:16
文献求助 Electrostatic potential on anti-scalants modified CaCO3(104)...
Electrostaticpotentialonanti-scalantsmodifiedCaCO3(104)surface:Amolecularsimulationstudy急求急求！[info1]Pei-QingYuanNingKongZhen-MinChengRaphaelSemiatinfo'.1...
 水如流年 2016-10-22 12:52
绿色求助(高悬赏) Relation between surface curvature and electrostatic ...
electrostaticpotentialofalongchargedisolatedconductorinfo'.2.'][info3]《JournalofElectromagneticWaves&Applications》,2010,24(11):1647-1659info'.3.'][info4]...
 ylsf_xmc 2016-10-17 06:47
文献求助 http://pubs.acs.org/doi/pdf/10.1021/bi982175f
Distribution,ElectrostaticSurfacePotential,EnzymaticCharacterization,andChromosomalLocalizationinfo'.2.'][info3]Biochemistryinfo'.3.'][info4]1999info'.4.'][info5]...
 yuguiyan 2016-09-13 10:16
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