THE USE OF MODEL AND QCPE-506 IN THE UNDERGRADUATE INSTRUMENTAL LABORATORY - SEMIEMPIRICAL CALCULATIONS

被引：8

作者：

LILLIE, TS

YEAGER, K

机构：

来源：

JOURNAL OF CHEMICAL EDUCATION | 1989年 / 66卷 / 08期

关键词：

D O I：

10.1021/ed066p675

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

收藏

页码：675 / 676

页数：2

相关论文

共 5 条

[1] GROUND-STATES OF MOLECULES .37. MINDO-3 CALCULATIONS OF MOLECULAR VIBRATION FREQUENCIES [J].

DEWAR, MJS ;

FORD, GP .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (06) :1685-1691

[2] SEMI-EMPIRICAL CALCULATIONS OF MOLECULAR VIBRATIONAL FREQUENCIES - MNDO METHOD [J].

DEWAR, MJS ;

FORD, GP ;

MCKEE, ML ;

RZEPA, HS ;

THIEL, W ;

YAMAGUCHI, Y .

JOURNAL OF MOLECULAR STRUCTURE, 1978, 43 (01) :135-138

[3] DETERMINATION OF THE VIBRATIONAL CONSTANTS OF SOME DIATOMIC-MOLECULES - COMBINED INFRARED SPECTROSCOPIC AND QUANTUM CHEMICAL 3RD YEAR CHEMISTRY PROJECT [J].

FORD, TA .

JOURNAL OF CHEMICAL EDUCATION, 1979, 56 (01) :57-58

[4]

Shimanouchi T., 1972, TABLES MOL VIBRATION, DOI 10.6028/NBS.NSRDS.39

[5] COMPUTER-ASSISTED QUANTITATIVE INFRARED CONFORMATIONAL-ANALYSIS OF ALPHA,BETA-UNSATURATED KETONES [J].

TISNES, P ;

PERRY, M .

JOURNAL OF CHEMICAL EDUCATION, 1985, 62 (10) :903-905