K-ELECTRON BINDING-ENERGY SHIFTS IN FLUORINATED METHANES AND BENZENES - COMPARISON OF A CNDO POTENTIAL MODEL WITH EXPERIMENT

被引：35
作者：
DAVIS, DW
SHIRLEY, DA
THOMAS, TD
机构：
来源：
JOURNAL OF CHEMICAL PHYSICS | 1972年 / 56卷 / 01期
关键词：
D O I：
10.1063/1.1676926
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：
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页码：671 / &
相关论文
共 9 条
[1]   ESCA: Chemical shifts of K-shell electron binding energies for first-row atoms in molecules [J].
Basch, Harold ;
Snyder, Lawrence C. .
CHEMICAL PHYSICS LETTERS, 1969, 3 (05) :333-336
[2]   On the interpretation of K-shell electron binding energy chemical shifts in molecules [J].
Basch, Harold .
CHEMICAL PHYSICS LETTERS, 1970, 5 (06) :337-339
[3]   COMPARISON OF CORE-LEVEL BINDING ENERGY SHIFTS IN MOLECULES WITH PREDICTIONS BASED ON KOOPMANS THEOREM [J].
DAVIS, DW ;
HOLLANDER, JM ;
SHIRLEY, DA ;
THOMAS, TD .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (06) :3295-+
[4]  
HOLLANDER JM, 1970, ANN REV NUCL SCI, V20, P435
[5]   APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .I. INVARIANT PROCEDURES [J].
POPLE, JA ;
SANTRY, DP ;
SEGAL, GA .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S129-+
[6]   Correlation of core electron binding energies with the average potential at a nucleus: Carbon 1s and extended Huckel theory valence molecular orbital potentials [J].
Schwartz, M. E. .
CHEMICAL PHYSICS LETTERS, 1970, 7 (01) :78-82
[7]   Correlation of 1s binding energy with the average quantum mechanical potential at A nucleus [J].
Schwartz, Maurice E. .
CHEMICAL PHYSICS LETTERS, 1970, 6 (06) :631-636
[8]   Direct calculation of binding energies of inner-shell electrons in molecules [J].
Schwartz, Maurice E. .
CHEMICAL PHYSICS LETTERS, 1970, 5 (01) :50-52
[9]  
Siegbahn K., 1969, ESCA APPL FREE MOL
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