SELF-CONSISTENT FIELD MOLECULAR ORBITAL CALCULATION FOR ANTHRANIL, BENZISOXAZOLE, AND BENZOXAZOLE

被引：6

作者：

CARSON, SD

ROSENBERG, HM

机构：

[1] University of Dayton Research Institute, Dayton

[2] Air Force Materials Laboratory, Wright-Patterson Air Force Base, Dayton

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 1969年 / 32卷 / 02期

关键词：

D O I：

10.1016/0022-2852(69)90218-5

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

Energy transitions and oscillator strengths for the singlet and triplet states of anthranil, benzisoxazole, and benzoxazole have been calculated using self-consistent field molecular orbital methods. Agreement with experimental absorption data is quite good for benzisoxazole and benzoxazole, but less satisfactory for anthranil. © 1969.

引用

页码：242 / +

页数：1

共 10 条

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