INTERPRETATION OF PHOTOELECTRON-SPECTRA USING THE SEMIEMPIRICAL AM-1 METHOD .1. NITROAZOLES

被引：0

作者：

TURCHANINOV, VK

DANOVICH, DK

ERMIKOV, AF

ZAKZHEVSKII, VG

ESKOVA, LA

机构：

[1] Irkutsk Institute of Organic Chemistry, Siberian Branch

来源：

BULLETIN OF THE ACADEMY OF SCIENCES OF THE USSR DIVISION OF CHEMICAL SCIENCE | 1991年 / 40卷 / 11期

关键词：

D O I：

10.1007/BF00961033

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Use of the single particle Green's function in semiempirical calculations (AM-1) of the ionization energies of nitroazoles provides satisfactory agreement with photoelectron spectroscopy data.

引用

页码：2181 / 2184

页数：4

共 10 条

[1]

CEDERBAUM LS, 1977, ADV CHEM PHYS, V26, P206

[2]

DANOVICH DK, 1988, DOKL AKAD NAUK SSSR+, V300, P879

[3]

ERMIKOV AF, 1987, ZH OBSHCH KHIM+, V57, P2770

[4]

JIMENEZ P, 1989, NEW J CHEM, V13, P181

[5]

KANISCHEV MI, 1988, KHIM GETEROTSIKL+, P435

[6]

KIMURA K, 1981, HDB HE I PHOTOELECTR, P173

[7]

KUDRYASHOVA NI, 1963, ZH OBSHCH KHIM+, V33, P173

[8]

SKVORTSOVA GG, 1976, KHIM GETEROTSIKL+, P1247

[9]

von Niessen W., 1979, CHEM PHYS, V41, P113, DOI 10.1016/0301-0104(79)80137-8

[10]

ZAKZHEVSKII VG, 1988, STROENIE SVOISTVA MO, P12

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