INFLUENCE OF SPIN CONTAMINATION AND BASIS SET ON ELECTROSTATIC POTENTIAL AND HFS COUPLING-CONSTANTS OF ORGANIC RADICALS

被引：18

作者：

CREMASCHI, P

GAMBA, A

MOROSI, G

SIMONETTA, M

机构：

[1] UNIV MILAN,CNR CTR,MILAN,ITALY

[2] UNIV MILAN,INST PHYS CHEM,MILAN,ITALY

来源：

THEORETICA CHIMICA ACTA | 1976年 / 41卷 / 02期

关键词：

D O I：

10.1007/BF01178077

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：177 / 182

页数：6

共 34 条

[11] ELECTRON SPIN RESONANCE STUDIES OF TRANSIENT ALKYL RADICALS [J].

FESSENDEN, RW ;

SCHULER, RH .

JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (09) :2147-&

[12] ELECTRON SPIN RESONANCE SPECTRA OF SOME ISOTOPICALLY SUBSTITUTED HYDROCARBON RADICALS [J].

FESSENDEN, RW .

JOURNAL OF PHYSICAL CHEMISTRY, 1967, 71 (01) :74-+

[13] ULTRAVIOLET AND ELECTRON-SPIN RESONANCE SPECTRA OF NITROPYRIDINES AND NITROPYRIDINE N-OXIDES [J].

GAMBA, A ;

MALATESTA, V ;

MOROSI, G ;

OLIVA, C ;

SIMONETTA, M .

JOURNAL OF PHYSICAL CHEMISTRY, 1973, 77 (23) :2744-2752

[14]

GAMBA A, IN PRESS

[15] C2H RADICAL - C-13 HYPERFINE INTERACTION AND OPTICAL-SPECTRUM [J].

GRAHAM, WRM ;

DISMUKE, KI ;

WELTNER, W .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (10) :3817-3823

[16]

HEHRE WJ, 236 IND U QCPE PROGR

[17] THEORETICAL-STUDY, INCLUDING CORRELATION, OF LOW-LYING STATES OF ETHYNYL RADICAL [J].

HILLIER, IH ;

KENDRICK, J ;

GUEST, MF .

MOLECULAR PHYSICS, 1975, 30 (04) :1133-1138

[18] FURTHER AB-INITIO CALCULATIONS ON ALLYL RADICAL [J].

HINCHLIF.A .

THEORETICA CHIMICA ACTA, 1972, 25 (02) :138-&

[19] HIGH-QUALITY AB-INITIO GAUSSIAN ORBITAL CALCULATIONS ON SOME PI-ELECTRON RADICALS AND IONS [J].

HINCHLIFFE, A .

JOURNAL OF MOLECULAR STRUCTURE, 1975, 27 (02) :329-334

[20] AB INITIO CALCULATIONS ON ALLYL RADICAL [J].

HINCHLIFFE, A .

CHEMISTRY AND PHYSICS OF LIPIDS, 1971, 11 (01) :131-+

← 1 2 3 4 →