PPP DODS CRYSTAL ORBITAL CALCULATION OF POLYENE, POLYFORMAMIDE, POLYCYTOSINE AND POLY(S-TRIAZINE)

被引：14

作者：

KERTESZ, M ^{[1
]}

SUHAI, S ^{[1
]}

LADIK, J ^{[1
]}

机构：

[1] HUNGARIAN ACAD SCI,CENT RES INST CHEM,BUDAPEST,HUNGARY

来源：

ACTA PHYSICA ACADEMIAE SCIENTIARUM HUNGARICAE | 1974年 / 36卷 / 01期

关键词：

D O I：

10.1007/BF03157190

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

引用

页码：77 / 90

页数：14

共 14 条

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INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1973, 7 (03) :501-520

[5] SOME DEVELOPMENTS IN SEMIEMPIRICAL THEORIES OF MOLECULAR CRYSTALS .2. PARISER-PARR-POPLE APPROXIMATION [J].

LADIK, J .

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[6] SEMIEMPIRICAL SCF LCAO CRYSTAL ORBITAL CALCULATION OF ENERGY BAND STRUCTURE OF HOMOPOLYNUCLEOTIDES [J].

LADIK, J ;

RAI, DK ;

APPEL, K .

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[7]

LADIK J, 1971, ACTA CHIM HUNG, V67, P297

[8] RELATIONSHIP BETWEEN UNRESTRICTED AND EXTENDED HARTREE-FOCK WAVE FUNCTIONS AS FUNCTION OF NUMBER OF ELECTRONS [J].

MARTINO, F ;

LADIK, J .

PHYSICAL REVIEW A, 1971, 3 (03) :862-&

[9] SEMIEMPIRICAL EXTENDED HARTREE-FOCK LCAO-MO-METHOD FOR MOLECULES [J].

MARTINO, F ;

LADIK, J .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (05) :2262-&

[10]

Mataga N., 1957, Z PHYS CHEM, V13, P140, DOI [10.1524/zpch.1957.13.3_4.140, DOI 10.1524/ZPCH.1957.13.3_4.140]

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