Development of a useful combinatorial catalysis informatics platform.

被引:0
作者
Knapman, K [1 ]
机构
[1] Accelrys, Cambridge CB4 0WG, England
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Q81 [生物工程学(生物技术)]; Q93 [微生物学];
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071005 ; 0836 ; 090102 ; 100705 ;
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页码:9 / 12
页数:4
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共 11 条
[1]   ZIEGLER-NATTA CATALYSIS - A THEORETICAL-STUDY OF THE ISOTACTIC POLYMERIZATION OF PROPYLENE [J].
CASTONGUAY, LA ;
RAPPE, AK .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1992, 114 (14) :5832-5842
[2]   Site symmetry dependence of repulsive interactions between chemisorbed oxygen atoms on Pt{100}-(1x1) [J].
Ge, Q ;
Hu, P ;
King, DA ;
Lee, MH ;
White, JA ;
Payne, MC .
JOURNAL OF CHEMICAL PHYSICS, 1997, 106 (03) :1210-1215
[3]   Adsorption and dissociation of O-2 on Ag(110) [J].
Gravil, PA ;
Bird, DM ;
White, JA .
PHYSICAL REVIEW LETTERS, 1996, 77 (18) :3933-3936
[4]   MULTIDIMENSIONAL POTENTIAL-ENERGY SURFACE FOR H-2 DISSOCIATION OVER CU(111) [J].
HAMMER, B ;
SCHEFFLER, M ;
JACOBSEN, KW ;
NORSKOV, JK .
PHYSICAL REVIEW LETTERS, 1994, 73 (10) :1400-1403
[5]   COMPUTER-ASSISTED SCREENING OF ZEOLITE CATALYSTS FOR THE SELECTIVE ISOPROPYLATION OF NAPHTHALENE [J].
HORSLEY, JA ;
FELLMANN, JD ;
DEROUANE, EG ;
FREEMAN, CM .
JOURNAL OF CATALYSIS, 1994, 147 (01) :231-240
[6]   GRADIENT CORRECTIONS IN DENSITY-FUNCTIONAL THEORY CALCULATIONS FOR SURFACES - CO ON PD(110) [J].
HU, P ;
KING, DA ;
CRAMPIN, S ;
LEE, MH ;
PAYNE, MC .
CHEMICAL PHYSICS LETTERS, 1994, 230 (06) :501-506
[7]  
KNAPMAN K, 1999, ALCHEMIST 0709
[8]   Atomic sulfur and chlorine interaction with Pd-n clusters (n=1-6): A density functional study [J].
Valerio, G ;
Toulhoat, H .
JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (10) :1969-1974
[9]   TRANSITION-STATES FOR NO AND CO DISSOCIATION ON CU (100) AND CU (111) SURFACES [J].
VANDAELEN, MA ;
LI, YS ;
NEWSAM, JM ;
VANSANTEN, RA .
CHEMICAL PHYSICS LETTERS, 1994, 226 (1-2) :100-105
[10]   Dissociation of H-2 on W(100) [J].
White, JA ;
Bird, DM ;
Payne, MC .
PHYSICAL REVIEW B, 1996, 53 (03) :1667-1674