ࡱ> QSPq` R   i Materials StudiooN(WSf[S]SPgeyf[Wv^(uMaterials Studio oN{NMaterials Studio (MS)oN/fVg'YvRP[!jboN6R FUAccelryslQS[Pgeyf[xvz _SveNNPge!jboN :N O~vCerius2oN(WPC:g-NyiHr,g SN.^R㉳QS_NSf[0Pge]N-NvN|R͑0/ecWindows0UnixNSLinuxI{Yyd\Os^SvMSoNOSf[SPgeyf[vxvzNfeO0W^z N~~g!jW v^[TyvfSO0e[WNSؚRP[Pgev'`(SvsQǏ zۏLmeQvxvz0YyHQۏv{lv~TЏ(uOMSb:NN*N:_ gRv!jb]wQ0egWOS0'`(KmTX\~M\Rg NSYBgvRRf[!jbTϑP[Rf[{ bNSNǏNN{USvff[vd\Oeg_0RR[S`vpenc0!jbvQ[SbNPSBR0ZTir0VSOShb0vfSONM\0Sf[S^I{PgeTSf[Wv;N0MSoNǑ(uup;mvClient-Server~g0vQ8h_!jWWVisualizerЏLN[7bzPC /ecTyWindowsd\O|~{!jWWYDiscover, MesoDyn, DMol3, CASTEPI{ ЏLNgRhVz /ecv|~SbWindows 2000/NT/XP0HP Alpha Tru640SGI IRIXNSRed Hat Linux0nmRSFloating License :g6RAQ(u7b\{\ONcN0RQ~ NNUONSgRhV N v^\~gԏV0R[7bzۏLRg N g'YP^0W)R(uNQ~Dn0 RP[!jb[[f[bN2001t^^-pNNMSoNV*N!jWWvHrCgVisualizer0Discover0Amorphous CellSCOMPASS v^ncdkbzNRP[!jb[[ 1ubb[^YecS~n-Nq\'Yf[HckZSX:Nf[/g~ _lςw R݄] z OyRt^r^Ye^k_hoRYec:N#N NLxvzNXT:NY^^0s[[^\NS]|wS] z-N_0[[bzT [S_MRVEVQRP[RRf[!jbxvzWwQ gv^lvSU\MRofTzz 'YRSU\勆Wvxvz0[[xvzlaN,gbv͑pyvYRP[hVN0glMQ0vtRyI{v~T HQT(WMaromol. Theory Simul.0J. Mol. Struct. (Theochem)0Comput. Chem. Eng.0Chem. Eng. Commun.0Comput. Mat. Sci.0e:gSf[f[b0irtSf[0Sf[irtf[bI{SCIg R NShY{xvze vQ-N Sh(WJ. Mol. Struct. (Theochem) Nve Molecular simulation of inner structure of a self assembled gold cluster passivated with thiol-terminated asymmetric hydroquinonyl oligoethers. c20058^]^,{kQJ\ybeNI{VY01uNxvz gyrr WSN'Yf[0 NwmN'Yf[0NSNt]'Yf[0WSNt]'Yf[0S]N'Yf[I{YDQ_b!hygN,g[[T\O HQT(WJ. Phys.Chem. B0MSMSE0irtSf[f[b0Sf[irtf[bI{SCIg R NT\OShNpe{xvzbg0SN ,g[[RP[RRf[!jbxvz4ls^W,g]0RVEHQۏVQHQ0dkY RP[!jb[[؏bb@wYyw~N Nyxyv ;N gV[6qyf[Wё g:glǏvtvRP[RRf[xvz_lςw6qyf[WёRt^WёyvWNRP[!jbl[{ T6RYV6e'Yl-N g:glvvt_lςwؚ!h6qyf[Wёyv+T5ё^\~s||P[RP[vN\O(uvRP[RRf[xvz0d\MSoNgRyxY [[؏la\dkHQۏoN_eQYef[s-N N~~^'YvS]TPgeNNv,gyu0xvzu0[[s]_NbTSf[S]0Pgeyf[TsX] z,gyuvhQ!hlQqQ O RP[!jb(WSf[S]SPgeyf[Wv^(u Te؏:NS]TPge|vxvzu_NNP  RP[!jbW@x 0vMR[[ gUxXxvzu$NN ]W{QQNTPh. D0RP[!jb[[ck(WRR\ꁫ^byrrf0bg>fW0VQHQۏv_S_[[0 яt^egRP[!jb[[Shv;Nek_h, _z, Hck.  wzzagN N-s||T[-2uWZS~irR`~gvRP[RRf[!jb e:gSf[f[b. 2003, 19(5): 480. SCIEYin K L, Xia Q, Xu D J, Xi H T, Sun X Q, Chen C L.  Computer Simulation of a Gold Nanoparticle Coated by Thiol-Terminated Hydroquinonyl Oligoethers Macromol. Theory Simul. 2003, 12: 593. SCI, EIYajing Ye, Litong Zhang, Laifei Cheng, Junjie Wang, Kailiang Yin. Molecular dynamics study of pyrolytic carbon interphase in CF/CI perform Modelling Simul. Mater. Sci. Eng. 2003, 11: 897. SCI, EIGuiling Zhang, Yong Pei, Jing Ma, Kailiang Yin, Cheng-Lung Chen. Packing Structures and Packing Effects on Excitation Energies of Amorphous Phase Oligothiophenes J. Phys. Chem. B. 2004, 108: 6988. SCI, EIk_h Y^ _z Hck.  ~s|4lnSwzz-N-s||T[-2uWZ11S~irv~_gRRf[!jbxvz Sf[irtf[b. 2004, 17(6): 711. SCIEK. L. Yin, Q. Xia, H. T. Xi, D. J. Xu, X. Q. Sun, C. L. Chen. Molecular simulation of inner structure of a self assembled gold cluster passivated with thiol-terminated asymmetric hydroquinonyl oligoethers. J. Mol. Struct. (Theochem) 2004, 674: 159.k_h0_z0Y^0SŖY0V0Hck.   HYPERLINK "http://211.65.79.4:85/../MST.DLL?DATABASE=QIKAN&FMT=QIKANN&OP=I&MFN=2134279" ckASmQpSO|QVǏ zvRP[RRf[!jb irtSf[f[b. 2004, 20(3): 302. SCIEY^0k_h. BDFp    4 6 & 68:JLb>ȼȵȮ{ttmfmfm_mmXh%?CJo(haCJo(hCJo(hWCJo(hliCJo(h],hW5CJo( hWCJhJCJo(h'h'CJH*o(hgGCJo(h'CJo(hi"CJo(hE#CJo(h'h ,CJH*o(h ,CJo(h],h ,5CJo(h ,CJaJo(h ,h[q5CJaJo(h ,h ,5CJaJo( DFt 6 8JX4 & Fdhgdddhgdj+:dhWD`gd1: dh`gdddhgdW dh`gd ,dhgd , $dha$gd ,CCLDNDZDpFG:I:@:B:f::::::::::::;;;<:<><F<J<R<T<p<<<ʺʺwj]hhdB*o(phhdhdB*o(phhdhdB*phhdhdB*aJphhdB*aJo(phhhd5B*aJo(phhhdB*aJo(phhdhd6B*aJo(phhdhd6B*aJphhhdB*H*aJphhdB*aJphhhdB*aJph"<<<<<<<h=j=l=========<>>>"?$?&?X?\?d?r?t?Ż}qqҬaq}qTh],hdB*aJphh],hd6B*aJo(phhdB*aJo(phhhd5B*aJo(phhdhd6B*aJo(phhdhd6B*aJphhhdB*aJo(phhdB*aJphhhdB*aJphhdB*phhdhdB*o(phhhdB*o(phhhdB*pht????????????@@@@@@ A$A@A\A`AbAAAAANBPBRBBBBBBBBBBB˿ՒՂկտujujuhbGhdKHaJhbGhdKHQJaJhhd6B*aJo(phhhdB*aJphhhd5B*aJo(phh],hd6B*aJo(phhdB*aJo(phhdB*aJphhhdB*aJo(phh],hdB*aJphh],hdB*aJo(ph(BBBBBBBBBBC CCCCC&C(C0C2C4C:CD@DHDJDLDNDTDXDZD\DjDnDD޿ެ޿޿ލހpaTETEh],h],B*aJo(phh],h],B*aJphhIhd5B*CJphhIhd5CJKHQJo(h],5CJKHQJo(hIhdB*aJo(phhIhd5KHQJaJo($h],hdB*KHQJaJo(phhIhdKHQJaJo(!h],hdB*KHQJaJphhdKHQJaJo(hIhdKHQJaJhdKHaJo(DDDDDDDDDDDDEFEFFF>F@FHF^F`FfFnFpFؿzsdXIhY"hdB*aJo(phh],B* aJo(phhdh],B* aJo(phh],aJo(hd5aJo(hdaJo(h],h],6B*aJo(phhd6aJo(h],h],6aJo(h],h],aJo( hdaJh],hdaJo(h],h],B*aJo(phh],h],B*aJphh],B*aJo(phh],h],B*aJo(phpF~FFFFFGGGGGGGGGGGGGGG H HHH굩ꖇ{l_UJAh&hdaJhEhdCJaJhdB*o(phh],hdB*o(phhY"hdB*aJo(phh],B* aJo(phhdh],B* aJo(phh],aJo(hCdhd5aJo(hN@hd6aJo(h],hd6B*aJo(phhY"hdaJo(hY"hdaJhY"hdKH\aJ hdaJhdaJo(h],hdB*aJo(phHHrHHHHHHHHHHHHHI I II(I*I0I8I:I*CJS*Y(aJphH\"#:HO 5 c0IGJ00000000000000 0 0 0 0 0 0 0 0 0 0  0  0  0  0 0 0 000 0 0 00&F.9<t?BPCCDpFH*urn:schemas-microsoft-com:office:smarttags PersonName9 *urn:schemas-microsoft-com:office:smarttagsplaceB *urn:schemas-microsoft-com:office:smarttagscountry-region (001237FalsegHasSpaceNegative NumberType ProductID SourceValueTCSCUnitNameHckhoRY^      O`h7 "%7?EHP9B  /06X[_a$,2:@GOr{ m |  " $  l ~    " 5 = C J K M O S T Y  "AM|sxckqxy{}08>EFHJSt  (*0ILNQSVX[crtvx~ NU(.6=J 9WX| o p X[!J333sss33s333330GJJ+34W43,\^`\o(. H\H^H`\hH) \^`\hH. \^`\hH. 4\4^4`\hH)  \ ^ `\hH. | \| ^| `\hH.  \ ^ `\hH) \^`\hH. \^`\B*o(ph. H\H^H`\hH) \^`\hH. \^`\hH. 4\4^4`\hH)  \ ^ `\hH. | \| ^| `\hH.  \ ^ `\hH) \^`\hH.+W         6>        ! oa1K)DWi"E# ,],j+:Y[;s!ad[dtWgli%n:o(@gGpxB [q1:aJ%?l'I 3 5 0GJa2%0%0a2a2a0a0@GGzGG@ H0@8UnknownGz Times New Roman5Symbol3& z Arial;[SOSimSun;5 N[_GB2312K  Optima-BoldArial qh*f)49B $B $!-!),.:;?]}    & 6"0000 0 000000 =@\]^([{  0 0 00000;[n2>>`HX(? ,2_o(u7b_o(u7b  Oh+'0`   (4@HPX ΢û Normal.dot ΢û5Microsoft Office Word@+@Ya`X@UYB՜.+,D՜.+, X`t|  ΢й$ >  8@ _PID_HLINKSA $.Lhttp://211.65.79.4:85/../MST.DLL?DATABASE=QIKAN&FMT=QIKANN&OP=I&MFN=2163027 #,Lhttp://211.65.79.4:85/../MST.DLL?DATABASE=QIKAN&FMT=QIKANN&OP=I&MFN=2134279   !"#$%&'()*+,-.0123456789:;<=>?ABCDEFGIJKLMNORRoot Entry FϭUYT1Table/!WordDocument8\SummaryInformation(@DocumentSummaryInformation8HCompObjm  FMicrosoft Office Word ĵ MSWordDocWord.Document.89q