STRUCTURES OF C-4

被引:129
作者
WHITESIDE, RA [1 ]
KRISHNAN, R [1 ]
DEFREES, DJ [1 ]
POPLE, JA [1 ]
SCHLEYER, PV [1 ]
机构
[1] UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
关键词
D O I
10.1016/0009-2614(81)85253-0
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:538 / 540
页数:3
相关论文
共 36 条
[21]   APPROXIMATE 4TH-ORDER PERTURBATION-THEORY OF ELECTRON CORRELATION ENERGY [J].
KRISHNAN, R ;
POPLE, JA .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 14 (01) :91-100
[22]   CORRELATED WAVEFUNCTIONS FOR WATER MOLECULE [J].
LUCCHESE, RR ;
CONRAD, MP ;
SCHAEFER, HF .
JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (11) :5292-5294
[23]   Note on an approximation treatment for many-electron systems [J].
Moller, C ;
Plesset, MS .
PHYSICAL REVIEW, 1934, 46 (07) :0618-0622
[24]   ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1. [J].
MULLIKEN, RS .
JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) :1833-1840
[28]   LARGE MOLECULES IN CARBON VAPOR [J].
PITZER, KS ;
CLEMENTI, E .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1959, 81 (17) :4477-4485
[29]   SELF-CONSISTENT ORBITALS FOR RADICALS [J].
POPLE, JA ;
NESBET, RK .
JOURNAL OF CHEMICAL PHYSICS, 1954, 22 (03) :571-572
[30]   CALCULATION OF ELECTRON-AFFINITY AND (A-1(1)-B-3(1)T0) VALUE OF METHYLENE USING ABINITIO MRD CI METHOD FOR A LARGE AO BASIS [J].
SHIH, SK ;
PEYERIMHOFF, SD ;
BUENKER, RJ ;
PERIC, M .
CHEMICAL PHYSICS LETTERS, 1978, 55 (02) :206-212