CNDO AND AB-INITIO DERIVED SIGMA-CORE CHARGES FOR PARISER-PARR-POPLE PI-ELECTRON CALCULATIONS ON NITROAROMATICS

被引：38
作者：
GORDON, MD [1 ]
NEUMER, JF [1 ]
机构：
[1] DUPONT CO,ORG CHEM DEPT,JACKSON LAB,WILMINGTON,DE 19898
来源：
JOURNAL OF PHYSICAL CHEMISTRY | 1974年 / 78卷 / 18期
关键词：
D O I：
10.1021/j100611a020
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
收藏
页码：1868 / 1873
页数：6
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