MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC-COMPOUNDS .28. GEOMETRIES AND ENERGIES OF SINGLET AND TRIPLET-STATES OF C3H2 HYDROCARBONS

被引:136
作者
HEHRE, WJ
POPLE, JA
LATHAN, WA
RADOM, L
WASSERMAN, E
WASSERMAN, ZR
机构
[1] UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
[2] CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
[3] AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA 2600,ACT,AUSTRALIA
[4] RUTGERS STATE UNIV,SCH CHEM,NEW BRUNSWICK,NJ 08903
[5] BELL TEL LABS INC,MURRAY HILL,NJ 07974
关键词
D O I
10.1021/ja00431a005
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:4378 / 4383
页数:6
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