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 50 条

[41] RELIABILITY OF THE MINDO-3 DIPOLE-MOMENT DERIVATIVES
WOLINSKI, K
SADLEJ, AJ
JOURNAL OF MOLECULAR STRUCTURE, 1979, 53 (02) : 287 - 295
[42] MINDO/3 STUDY OF PERIODIC OVERLAYERS ON GRAPHITE
RICART, JM
VIRGILI, J
ILLAS, F
SURFACE SCIENCE, 1984, 147 (2-3) : 413 - 426
[43] INDO AND MINDO-3 ATOM-IN-MOLECULE POLARIZABILITIES
METZGER, RM
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (06): : 3444 - 3457
[44] MINDO-3 CALCULATIONS OF ESCA CHEMICAL-SHIFTS
DEWAR, MJS
LO, DH
CHEMICAL PHYSICS LETTERS, 1975, 33 (02) : 298 - 299
[45] MINDO-3 STUDY OF SOME CYCLOOCTATETRAENES CONTAINING ANNELATED CYCLOBUTENE AND CYCLOBUTADIENE RINGS
MAK, TCW
LI, WK
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1982, 6 (3-4): : 281 - 284
[46] MINDO-2' AND MINDO-3 STUDIES OF ELECTROCYCLIC CONVERSION OF DEWAR BENZENE INTO BENZENE
DEWAR, MJS
KIRSCHNER, S
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1975, (12) : 463 - 464
[47] MINDO-3 STUDY OF SUBSTITUTED METHYLENES CCL2, HCCL, AND MECCL
LI, WK
ROTHSTEIN, SM
CHEMICAL PHYSICS LETTERS, 1978, 57 (02) : 211 - 213
[48] MINDO-3 STUDY OF FACTORS CONTROLLING CONFIGURATIONAL STABILITY IN VINYL AND CYCLOPROPYL RADICALS
BINGHAM, RC
DEWAR, MJS
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (21) : 7181 - 7182
[49] MECHANISM OF VINYLCYCLOPROPANE REARRANGEMENT - REARRANGEMENT OF CYCLOPROPYLALLENE AND MINDO-3 CALCULATIONS
DEWAR, MJS
FONKEN, GJ
KIRSCHNER, S
MINTER, DE
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (23) : 6750 - 6753
[50] STUDY OF THE SUBSTITUENT EFFECT ON THE ACTIVATION-ENERGY FOR THE DEHYDROCHLORINATION OF CHLOROALKANES BY THE MINDO-3 METHOD
FAUSTOV, VI
YUFIT, SS
BULLETIN OF THE ACADEMY OF SCIENCES OF THE USSR DIVISION OF CHEMICAL SCIENCE, 1979, 28 (08): : 1754 - 1756

← 1 2 3 4 5 →