CNDO-2 CHARGE-DENSITY CALCULATION FOR LARGE MOLECULES

被引：0

作者：

KIKUCHI, O

机构：

来源：

MACROMOLECULES | 1981年 / 14卷 / 06期

关键词：

D O I：

10.1021/ma50007a043

中图分类号：

O63 [高分子化学（高聚物）];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

引用

页码：1827 / 1829

页数：3

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[1] IMPROVED METHOD FOR CALCULATION OF CNDO-2 CONFORMATIONS IN CONJUGATED MOLECULES
JANSSEN, J
LUTTKE, W
JOURNAL OF MOLECULAR STRUCTURE, 1979, 55 (02) : 265 - 281
[2] CNDO-2 STUDY OF CHANGES IN KINETIC-ENERGY AND INTERFERENCE CHARGE-DENSITY IN FORMATION OF HYDRIDE ADDUCT OF BORANE
DATTA, MK
DATTA, R
INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, 1978, 16 (07): : 616 - 618
[3] CALCULATION OF THE ENTHALPY OF FORMATION OF POLYATOMIC-MOLECULES IN THE CNDO-2 APPROXIMATION
BELIK, AV
BAKEEVA, SK
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BULLETIN OF THE ACADEMY OF SCIENCES OF THE USSR DIVISION OF CHEMICAL SCIENCE, 1978, 27 (05): : 1004 - 1006
[4] CNDO-2 CALCULATION OF SILICATE COORDINATION POLYHEDRA
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ACTA CRYSTALLOGRAPHICA SECTION A, 1975, 31 : S167 - S168
[5] CNDO-2 FOR IODINE-CONTAINING MOLECULES
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[6] LOCALIZED CNDO-2 CHARGE-DISTRIBUTION IN ACETYLCHOLINE
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DEBUEREN, A
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[7] CALCULATION OF ELECTRONIC-TRANSITIONS IN ORIGINAL CNDO-2 TREATMENT
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[8] CNDO-2 CALCULATIONS OF INTERACTIONS OF FORMAMIDE AND IMIDAZOLE - ANOTHER FAILURE OF CNDO-2
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[9] ACCELERATION OF CONVERGENCE BY DENSITY MATRIX EXTRAPOLATION IN CNDO-2 CALCULATIONS
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[10] CHARGE-DENSITY AND DIPOLE-MOMENT CALCULATIONS ON PHOSPHOLIPID BY CNDO METHOD
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NATIONAL ACADEMY SCIENCE LETTERS-INDIA, 1978, 1 (01): : 33 - 35

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