CONTROVERSIAL ASSIGNMENT OF IONIZATION-POTENTIALS OF FORMALDEHYDE

被引:43
作者
CEDERBAUM, LS [1 ]
DOMCKE, W [1 ]
NIESSEN, WV [1 ]
机构
[1] TECH UNIV MUNICH,PHYS DEPT,8046 GARCHING,FED REP GER
关键词
D O I
10.1016/0009-2614(75)80200-4
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:60 / 62
页数:3
相关论文
共 11 条
[1]   CALCULATION OF ELECTRONIC-STRUCTURE OF FORMALDEHYDE USING OVERLAPPING SPHERES IN SCF X-ALPHA SCATTERED-WAVE METHOD [J].
BATRA, IP ;
ROBAUX, O .
CHEMICAL PHYSICS LETTERS, 1974, 28 (04) :529-531
[2]   CARBONYL PI-IONIZATION POTENTIAL OF FORMALDEHYDE [J].
BRUNDLE, CR ;
TURNER, DW .
CHEMICAL COMMUNICATIONS, 1967, (07) :314-&
[3]   VIBRATIONAL STRUCTURE IN PHOTOELECTRON-SPECTRA BY METHOD OF GREENS FUNCTIONS [J].
CEDERBAUM, LS ;
DOMCKE, W .
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (07) :2878-2889
[4]   DIRECT CALCULATION OF IONIZATION POTENTIALS OF CLOSED-SHELL ATOMS AND MOLECULES [J].
CEDERBAUM, LS .
THEORETICA CHIMICA ACTA, 1973, 31 (03) :239-260
[5]  
CEDERBAUM LS, TO BE PUBLISHED
[6]   MOLECULAR-PROPERTIES OF EXCITED ELECTRONIC STATES - A A-3'' AND A A-1'' STATES OF FORMALDEHYDE [J].
GARRISON, BJ ;
SCHAEFER, HF ;
LESTER, WA .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (08) :3039-3042
[7]  
Johnson K. H., 1973, ADV QUANTUM CHEM, V7, P143
[8]   ONE-ELECTRON PROPERTIES OF NEAR-HARTREE-FOCK WAVEFUNCTIONS .2. HCHO CO [J].
NEUMANN, DB ;
MOSKOWITZ, JW .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (05) :2216-+
[9]   SCF XALPHA SCATTERED-WAVE CALCULATION FOR FERROCENE [J].
ROSCH, N ;
JOHNSON, KH .
CHEMICAL PHYSICS LETTERS, 1974, 24 (02) :179-184
[10]   METHOD OF ADJUSTING FORCE CONSTANTS AND ITS APPLICATION TO H2O H2CO CH2CL AND THEIR DEUTERATED MOLECULES [J].
SHIMANOUCHI, T ;
SUZUKI, I .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (01) :296-+