ALL VALENCE-ELECTRONS CALCULATIONS ON PURINES AND PYRIMIDINES .2. AN ITERATIVE EXTENDED HUCKEL COMPUTATION

被引：37

作者：

PULLMAN, A

KOCHANSK.E

GILBERT, M

DENIS, A

机构：

来源：

THEORETICA CHIMICA ACTA | 1968年 / 10卷 / 03期

关键词：

D O I：

10.1007/BF00529343

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：231 / &

共 27 条

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[3] THEORETICAL STUDY OF ELECTRONIC PROPERTIES OF PURINE AND PYRIMIDINE COMPONENTS OF NUCLEIC ACIDS .I. A SEMI-EMPIRICAL SELF-CONSISTENT-FIELD CALCULATION
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (12) : 4725 - &
[7] CLEMENTI E, 1967, J CHEM PHYS, V46, P4737, DOI 10.1063/1.1840628
[8] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) : 2686 - &
[9] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .4. ALL-ELECTRON SCF WAVEFUNCTION FOR GROUND STATE OF PYRIDINE
CLEMENTI, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (12) : 4731 - &
[10] SELECTION OF MOLECULAR MATRIX ELEMENTS FROM ATOMIC DATA
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) : S160 - +

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