Toward a unified structure theory of polycyclic conjugated hydrocarbons - The Aufbau principle

被引:3
作者
Dias, JR [1 ]
机构
[1] Univ Missouri, Dept Chem, Kansas City, MO 64110 USA
关键词
eigenvalues; polyenes; property prediction; similarity;
D O I
10.1080/10406639908019112
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
Series of strongly subspectral molecular graphs (having a preponderance of common eigenvalues) corresponding to conjugated hydrocarbons are presented and their structural properties studied.
引用
收藏
页码:63 / 70
页数:8
相关论文
共 17 条
[1]   A SIMPLE TREATMENT TO DESIGN NBMO DEGENERATE SYSTEMS IN ALTERNANT AND NONALTERNANT HYDROCARBONS [J].
AOKI, Y ;
IMAMURA, A .
THEORETICA CHIMICA ACTA, 1992, 84 (03) :155-180
[2]   NAPHTHO[BETA]CYCLOBUTADIENE [J].
CAVA, MP ;
HSU, AFC .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (18) :6441-&
[3]  
CHANG CS, 1972, J AM CHEM SOC, V94, P7593, DOI 10.1021/ja00776a061
[4]  
CRAM DJ, 1991, ANGEW CHEM INT EDIT, V30, P1024, DOI 10.1002/anie.199110241
[5]  
Dias J.R., 1994, POLYCYCL AROMAT COMP, V4, P87, DOI 10.1080/10406639408034803
[6]   Properties and relationships of right-hand mirror-plane fragments and their eigenvectors: The concept of complementarity of molecular graphs - Molecular orbital functional groups .2. [J].
Dias, JR .
MOLECULAR PHYSICS, 1996, 88 (02) :407-417
[7]   ALGORITHM FOR GENERATING FULLERENES BY CIRCUMSCRIBING [J].
DIAS, JR .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1994, 34 (02) :248-251
[8]  
DIAS JR, 1993, MO CALCULATIONS USIN
[9]  
DIAS JR, 1991, J MOL STRUC-THEOCHEM, V230, P155
[10]  
DOHNERT D, 1980, J AM CHEM SOC, V102, P1789