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ÍâÎÄÊé¼®ÇóÖú RSC³ö°æµÄTutorials in Molecular Reaction Dynamics£¬2011
[info1]MarkBrouard,ClaireVallanceinfo'.1.'][info2]TutorialsinMolecularReactionDynamicsinfo'.2.'][info3]RSCpublishinginfo'.3.'][info4]02Dec2011info'.4.'][info5...
windsonwang 2017-11-19 12:04
ѧÊõ»áÒé 2018·´Ó¦¹¤³Ì¹ú¼ÊѧÊõ»áÒé(imccre2018)
International-MexicanCongressonChemicalReactionEngineering(IMCCRE2018)2018Ä«Î÷¸ç·´Ó¦¹¤³Ì¹ú¼ÊѧÊõ»áÒéalign...·Ö×Ó¶¯Á¦Ñ§ºÍ¹¤³Ì£¨MolecularDynamicsand...
tju1994820 2017-10-21 04:26
ÎÄÏ×ÇóÖú Annual Review of Physical Chemistry+ÎÄÏ×һƪ
[info1]SRLeoneinfo'.1.'][info2]State-ResolvedMolecularReactionDynamicsinfo'.2.'][info3]AnnualReviewofPhysicalChemistryinfo'.3.'][info4]1984info'.4.'][info5]35...
lanyouno2 2017-10-11 02:12
ÂÌÉ«ÇóÖú(¸ßÐüÉÍ) ÇóÖúһƪӢÎÄÎÄÏ×
AssessmentofReactionModelsofClassIEPSPSynthase:MolecularDockingandDensityFunctional...BiomolecularStructureandDynamicsinfo'.3.'][info4]15May2012info'.4.']...
ligengxu1 2017-09-03 09:30
ÎÄÏ×ÇóÖú Preliminary understanding of initial reaction process for ...
reactionprocessforsubbituminouscoalpyrolysiswithmoleculardynamicssimulationinfo'.2.'][info3]Fuelinfo'.3.'][info4]2014info'.4.'][info5]134info'.5.']
holly24 2017-08-01 11:15
ÎÄÏ×ÇóÖú Çójournal of Computational Chemistryһƪ£¬Ð»Ð»£¡
Iannuzzi,andJ€urgHutterinfo'.1.'][info2]DividingaComplexReactionInvolvinga...InitioMolecularDynamicsinfo'.2.'][info3]computionalchemistryinfo'.3.']...
ÚäÄ°Ëæ·ç 2017-06-16 08:24
ÎÄÏ×ÇóÖú ÇóÖújournal of physics b ÎÄÕÂһƪ
thestate-to-statedynamicsmechanismofH+HBr(v=0,1,j=0)¡úH2+Brreactioninfo'.2.'][info3]journalofphysicsBinfo'.3.'][info4]2017JournalofPhysicsB:Atomic,Molecular...
ziyue_pony 2017-06-15 04:29
ÎÄÏ×ÇóÖúÍê½á×Ó°æ ÇóÂÛÎÄһƪ
[info1]Y.XiaoandW.Donginfo'.1.'][info2]Moleculardynamicssimulationofacomplexsurfacereaction:TheeffectofcoverageonH2dissociationonPd(111)info'.2.'][info3]...
wjwang123 2017-04-28 07:24
µ¼Ê¦ÕÐÉú Universit¨¦ Paris-Sud PhD position:femtosecond laser
tocontrolthemoleculararrangementandthemoleculartypeoftheproducts(RectusorSinister...Belloni,J.,HomogeneousNucleation-GrowthDynamicsInducedbySingleLaser...
geovivo 2017-04-23 04:07
ÎÄÏ×ÇóÖú acs ÓÐÁ´½Ó
inhibitors:acomputationalstudybymultiplemoleculardockingandmoleculardynamicssimulationTecush...JampilekMolecules201621(9),1189Iron-CatalyzedReactionofUreawith...
lds1223 2017-02-19 03:15
ÎÄÏ×ÇóÖú ÇóÖúһƪÆÚ¿¯ÎÄÏ×
Huanginfo'.1.'][info2]HotspotformationandchemicalreactioninitiationinshockedHMXcrystalswithnanovoids:alarge-scalereactivemoleculardynamicsstudyinfo'.2.']...
Crystalspeng 2017-02-09 02:02
ÎÄÏ×ÇóÖú For one paper in ACS catalysis
[info2]DynamicsofCrO3¨CFe2O3CatalystsduringtheHigh-TemperatureWater-GasShiftReaction:MolecularStructuresandReactivityinfo'.2.'][info3]ACSCatal.,2016,6(7),pp4786...
xhyu 2017-02-03 08:50
ÎÄÏ×ÇóÖú ÆÚ¿¯ÎÄÏ×ÇóÖú
C.-C.info'.1.'][info2]DirectabinitiodynamicsstudyoftherateconstrantsandkineticisotopeeffectsforC2?CH3OHreaction.info'.2.'][info3]Molecularphysicsinfo'.3....
·ëÀöϼ 2017-01-12 09:02
ÎÄÏ×ÇóÖú ÇóÂÛÎÄһƪ
[info1]PiergiorgioCasavecchiainfo'.1.'][info2]Reactiondynamicsofoxygenatomswithunsaturatedhydrocarbonsfromcrossedmolecularbeamstudies:primaryproducts,branching...
wjwang123 2016-11-12 12:31
ÎÄÏ×ÇóÖú Enantioselective Palladium-Catalyzed Hydrosilylation of ...
HydrosilylationofStyrene:?DetailedReactionMechanismfromFirst-PrinciplesandHybridQM/MMMolecularDynamicsSimulationsinfo'.2.'][info3]Organometallicsinfo'.3.']...
zhangf_iccas 2016-11-08 02:11
ÎÄÏ×ÇóÖúÍê½á×Ó°æ Molecular dynamics investigation of thermite reaction ...
[info2]MoleculardynamicsinvestigationofthermitereactionbehaviorofnanostructuredAl/SiO2systeminfo'.2.'][info3]ACTAPHYSICASINICAinfo'.3.'][info4]2014info'.4.']...
ÖÁÇØhelen 2016-11-07 01:06
ÎÄÏ×ÇóÖú Çó Nanoscience and Nanotechnology Letters Ò»ÎÄ
(2012)[Abstract][FullText-PDF][PurchaseArticle]MolecularDynamicsStudyonRelaxationCharacteristicsofGrapheneNanoribbonsatRoomTemperature...ReductionReactionWisam...
ĦÍÐÅ®ÀÉ 2016-10-26 01:05
µ¼Ê¦ÕÐÉú ºþÄÏ´óѧ»¯Ñ§»¯¹¤¾¿ÔºÕÐÊÕ2017ÄêÍÆÃâÉú-Óлú¡¢²ÄÁÏ·½Ïò
EfficientCascadeaza-Michael/AldolReactionChem.Commun.2013,49,4361-4363(Invitedcontributionforthe...BondGuidedbyMolecularDynamicsSimulationsNat.Chem.2015,7,653-660.
zhaowanxiang 2016-09-23 09:11
ÎÄÏ×ÇóÖúÍê½á×Ó°æ QM/QM¡äDirect Molecular Dynamics of Water-Accelerated Diels...
[info2]QM/QM¡äDirectMolecularDynamicsofWater-AcceleratedDiels¨CAlderReactioninfo'.2.'][info3]J.Phys.Chem.B,2016,120(26),pp6250¨C6254info'.3.'][info4]J.Phys.Chem.B,...
lttiger 2016-07-20 06:51
ÎÄÏ×ÇóÖúÍê½á×Ó°æ QM/MM Protocol for Direct Molecular Dynamics of Chemical ...
[info2]QM/MMProtocolforDirectMolecularDynamicsofChemicalReactionsinSolution:TheWater-AcceleratedDiels¨CAlderReactioninfo'.2.'][info3]J.Chem.TheoryComput.,2015,...
lttiger 2016-07-20 06:55
ÎÄÏ×ÇóÖú ÇóÂÛÎÄһƪ
Manolopoulos1info'.1.'][info2]Bimolecularreactionratesfromringpolymermoleculardynamics:ApplicationtoH+CH4¡úH2+CH3info'.2.'][info3]J.Chem.Phys.134,044131(2011);...
wjwang123 2016-06-27 03:41
ÎÄÏ×ÇóÖú Tribochemical reaction dynamics of molybdenum ...
Michihisainfo'.1.'][info2]Tribochemicalreactiondynamicsofmolybdenumdithiocarbamateonnascentiron...moleculardynamicsstudyinfo'.2.'][info3]JournalofNanoscienceand...
Ææ»ÃÖ®Âà 2016-04-23 08:53
ÎÄÏ×ÇóÖú ÎÄÏ×һƪ
[info1]KunYangAffiliatedwithStateKeyLaboratoryofMolecularReactionDynamics,DalianInstituteofChemicalPhysics,ChineseAcademyofSciences,Xiao-FangChenAffiliated...
ÈçÊ«Èç»° 2016-04-11 02:25