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MOLECULAR-MODELS IN ABINITIO STUDIES OF SOLIDS AND SURFACES - FROM IONIC-CRYSTALS AND SEMICONDUCTORS TO CATALYSTS

被引：724
作者：
SAUER, J
机构：
来源：
CHEMICAL REVIEWS | 1989年 / 89卷 / 01期
关键词：
D O I：
10.1021/cr00091a006
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：199 / 255
页数：57
相关论文
共 590 条
[121]  
COTTON FA, 1963, CHEM APPLICATIONS GR
[122]   REPRESENTATION OF THE MOLECULAR ELECTROSTATIC POTENTIAL BY A NET ATOMIC CHARGE MODEL [J].
COX, SR ;
WILLIAMS, DE .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1981, 2 (03) :304-323
[123]   THEORETICAL-STUDIES OF INTERSTITIAL HYDROGEN IN TITANIUM [J].
CREMASCHI, P ;
WHITTEN, JL .
SURFACE SCIENCE, 1985, 149 (01) :273-284
[124]   TI-H INTERACTIONS IN SMALL METAL-CLUSTERS [J].
CREMASCHI, P ;
WHITTEN, JL .
CHEMICAL PHYSICS LETTERS, 1984, 111 (03) :215-218
[125]   THE EFFECT OF HYDROGEN CHEMISORPTION ON TITANIUM SURFACE BONDING [J].
CREMASCHI, P ;
WHITTEN, JL .
THEORETICA CHIMICA ACTA, 1987, 72 (5-6) :485-496
[126]   CHEMISORPTION OF HYDROGEN ON TITANIUM - EMBEDDING THEORY AND COMPARISONS WITH SMALL CLUSTERS [J].
CREMASCHI, P ;
WHITTEN, JL .
SURFACE SCIENCE, 1981, 112 (03) :343-358
[127]   CHEMISORPTION THEORY - DISSOCIATION OF H-2 ON TI(0001) [J].
CREMASCHI, P ;
WHITTEN, JL .
PHYSICAL REVIEW LETTERS, 1981, 46 (18) :1242-1244
[128]   THE EFFECTS OF INTERMOLECULAR INTERACTIONS ON THE ELECTRIC-FIELD GRADIENTS IN ICE AND LIQUID WATER - THE ROLE OF ELECTROSTATICS [J].
CUMMINS, PL ;
BACSKAY, GB ;
HUSH, NS .
MOLECULAR PHYSICS, 1987, 61 (04) :795-811
[129]   THE EFFECT OF INTERMOLECULAR INTERACTIONS ON THE ELECTRIC-FIELD GRADIENTS IN SOLID AMMONIA, TETRAZOLE AND IMIDAZOLE - THE ROLE OF ELECTROSTATICS [J].
CUMMINS, PL ;
BACSKAY, GB ;
HUSH, NS .
MOLECULAR PHYSICS, 1987, 62 (01) :193-213
[130]   THE EFFECT OF INTERMOLECULAR INTERACTIONS ON THE H-2 AND O-17 QUADRUPOLE COUPLING-CONSTANTS IN ICE AND LIQUID WATER [J].
CUMMINS, PL ;
BACKSAY, GB ;
HUSH, NS ;
HALLE, B ;
ENGSTROM, S .
JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (04) :2002-2013
891011121314151617