DISCONTINUITIES IN COMPUTED POTENTIAL ENERGY CURVES

被引:20
作者
GREGORY, AR
机构
关键词
D O I
10.1016/0009-2614(71)80481-5
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:271 / +
页数:1
相关论文
共 21 条
[1]   THEORETICAL STUDY OF GEOMETRY REACTIVITY AND SPECTRUM OF CYCLOPROPANE [J].
BUENKER, RJ ;
PEYERIMH.SD .
JOURNAL OF PHYSICAL CHEMISTRY, 1969, 73 (05) :1299-&
[2]  
CROW WD, 1968, TETRAHEDR L, V24, P6149
[3]  
CROW WD, UNPUBLISHED
[4]  
CUSACHS LC, 1969, INT J QUANTUM CHEM, V3, P67
[5]  
DOBOSH PA, QUANTUM CHEMISTRY PR
[6]  
GREGROY AR, 1971, 43 ANZAAS C BRISB
[7]   AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS [J].
HOFFMANN, R .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (06) :1397-&
[8]   TRIMETHYLENE AND ADDITION OF METHYLENE TO ETHYLENE [J].
HOFFMANN, R .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (06) :1475-&
[9]   UNUSUAL PYRAMIDAL FOLDING OF METHYLENE GROUPS IN A TRIMETHYLENE DIRADICAL STRUCTURE [J].
JEAN, Y ;
SALEM, L .
JOURNAL OF THE CHEMICAL SOCIETY D-CHEMICAL COMMUNICATIONS, 1971, (08) :382-&
[10]   LCAO-SCF COMPUTATIONS FOR ETHYLENE [J].
KALDOR, U ;
SHAVITT, I .
JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (01) :191-+