ZERO-FIELD SPLITTINGS IN AROMATIC HYDROCARBONS .2. CALCULATIONS WITH PI-ELECTRON WAVE FUNCTIONS INCLUDING OVERLAP AND EXTENSIVE CONFIGURATION INTERACTION

被引:17
作者
THOMSON, C
机构
关键词
D O I
10.1080/00268976600101031
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:197 / &
相关论文
共 37 条
[1]  
AMOS A, 1965, J CHEM PHYS, V43, P2146
[2]   ZERO-FIELD SPLITTING .V. AROMATIC NITROGEN HETEROCYCLES [J].
BOORSTEIN, SA ;
GOUTERMAN, M .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (09) :3070-+
[3]   THEORY FOR ZERO-FIELD SPLITTINGS IN AROMATIC HYDROCARBONS .3. [J].
BOORSTEIN, SA ;
GOUTERMAN, M .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (10) :2443-&
[4]   ZERO-FIELD SPLITTINGS .4. GAUSSIAN APPROXIMATION OF INTEGRALS [J].
BOORSTEIN, SA ;
GOUTERMAN, M .
JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (09) :2776-&
[5]   ELECTRON MAGNETIC RESONANCE OF TRIPLET STATES AND DETECTION OF ENERGY TRANSFER IN CRYSTALS [J].
BRANDON, RW ;
GERKIN, RE ;
HUTCHISON, CA .
JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (02) :447-&
[6]   ELECTRON PARAMAGNETIC RESONANCE STUDY OF PHOTO-EXCITED TRIPLET STATE OF PYRENE-D-10 [J].
CHARLES, SW ;
FISCHER, PHH ;
MCDOWELL, CA .
MOLECULAR PHYSICS, 1965, 9 (06) :517-&
[8]   ZERO-FIELD SPLITTINGS IN SOME TRIPLET-STATE ARMATIC MOLECULES [J].
CHIU, YN .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (10) :2736-&
[9]   PARAMAGNETIC RESONANCE IN PHOSPHORESCENT AROMATIC HYDROCARBONS .2. DETERMINATION OF ZERO-FIELD SPLITTING FROM SOLUTION SPECTRA [J].
DEGROOT, MS ;
VANDERWAALS, JH .
MOLECULAR PHYSICS, 1960, 3 (02) :190-200
[10]   PARAMAGNETIC RESONANCE IN PHOSPHORESCENT AROMATIC HYDROCARBONS .3. CONFORMATIONAL ISOMERISM IN BENZENE AND TRIPTYCENE [J].
DEGROOT, MS ;
VANDERWAALS, JH .
MOLECULAR PHYSICS, 1963, 6 (06) :545-562