PERIODIC MINDO-3 STUDY OF THE RECONSTRUCTED (111) SURFACE OF DIAMOND

被引：16

作者：

DOVESI, R ^{[1
]}

PISANI, C ^{[1
]}

ROETTI, C ^{[1
]}

RICART, JM ^{[1
]}

机构：

[1] UNIV BARCELONA,FAC QUIM TARRAGONA,DEPT QUIM,E-43005 TARRAGONA,SPAIN

来源：

SURFACE SCIENCE | 1987年 / 185卷 / 1-2期

关键词：

D O I：

10.1016/S0039-6028(87)80617-9

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：120 / 124

页数：5

共 9 条

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[6] NEW DIMERIZED-CHAIN MODEL FOR THE RECONSTRUCTION OF THE DIAMOND (111)-(2X1) SURFACE [J].

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[7] MINDO/3 CALCULATIONS FOR PERIODIC-SYSTEMS [J].

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[8]

RICART JM, 1985, J MOL STRUCT THEOCHE, V120, P225

[9] TOTAL ENERGIES OF DIAMOND (111) SURFACE RECONSTRUCTIONS BY A LINEAR COMBINATION OF ATOMIC ORBITALS METHOD [J].

VANDERBILT, D ;

LOUIE, SG .

PHYSICAL REVIEW B, 1984, 30 (10) :6118-6130

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