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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
论文数:
0
引用数:
0
h-index:
0
DAVIS, DW
SHIRLEY, DA
论文数:
0
引用数:
0
h-index:
0
SHIRLEY, DA
THOMAS, TD
论文数:
0
引用数:
0
h-index:
0
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
:
引用
收藏
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
Basch, Harold
论文数:
0
引用数:
0
h-index:
0
机构:
Ford Motor Co, Sci Lab, Dearborn, MI 48121 USA
Ford Motor Co, Sci Lab, Dearborn, MI 48121 USA
Basch, Harold
Snyder, Lawrence C.
论文数:
0
引用数:
0
h-index:
0
机构:
Ford Motor Co, Sci Lab, Dearborn, MI 48121 USA
Snyder, Lawrence C.
[J].
CHEMICAL PHYSICS LETTERS,
1969,
3
(05)
: 333
-
336
[2]
On the interpretation of K-shell electron binding energy chemical shifts in molecules
Basch, Harold
论文数:
0
引用数:
0
h-index:
0
机构:
Ford Motor Co, Sci Res Staff, Dearborn, MI 48121 USA
Ford Motor Co, Sci Res Staff, Dearborn, MI 48121 USA
Basch, Harold
[J].
CHEMICAL PHYSICS LETTERS,
1970,
5
(06)
: 337
-
339
[3]
COMPARISON OF CORE-LEVEL BINDING ENERGY SHIFTS IN MOLECULES WITH PREDICTIONS BASED ON KOOPMANS THEOREM
DAVIS, DW
论文数:
0
引用数:
0
h-index:
0
DAVIS, DW
HOLLANDER, JM
论文数:
0
引用数:
0
h-index:
0
HOLLANDER, JM
SHIRLEY, DA
论文数:
0
引用数:
0
h-index:
0
SHIRLEY, DA
THOMAS, TD
论文数:
0
引用数:
0
h-index:
0
THOMAS, TD
[J].
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
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
SANTRY, DP
论文数:
0
引用数:
0
h-index:
0
SANTRY, DP
SEGAL, GA
论文数:
0
引用数:
0
h-index:
0
SEGAL, GA
[J].
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
Schwartz, M. E.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Notre Dame, Radiat Lab, Notre Dame, IN 46556 USA
Univ Notre Dame, Radiat Lab, Notre Dame, IN 46556 USA
Univ Notre Dame, Radiat Lab, Notre Dame, IN 46556 USA
Schwartz, M. E.
[J].
CHEMICAL PHYSICS LETTERS,
1970,
7
(01)
: 78
-
82
[7]
Correlation of 1s binding energy with the average quantum mechanical potential at A nucleus
Schwartz, Maurice E.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Notre Dame Lcc, Dept Chem, Notre Dame, IN 46556 USA
Univ Notre Dame Lcc, Radiat Lab, Notre Dame, IN 46556 USA
Univ Notre Dame Lcc, Dept Chem, Notre Dame, IN 46556 USA
Schwartz, Maurice E.
[J].
CHEMICAL PHYSICS LETTERS,
1970,
6
(06)
: 631
-
636
[8]
Direct calculation of binding energies of inner-shell electrons in molecules
Schwartz, Maurice E.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Notre Dame, Dept Chem, Notre Dame, IN 46556 USA
Univ Notre Dame, Radiat Lab, Notre Dame, IN 46556 USA
Univ Notre Dame, Dept Chem, Notre Dame, IN 46556 USA
Schwartz, Maurice E.
[J].
CHEMICAL PHYSICS LETTERS,
1970,
5
(01)
: 50
-
52
[9]
Siegbahn K., 1969, ESCA APPL FREE MOL
←
1
→
共 9 条
[1]
ESCA: Chemical shifts of K-shell electron binding energies for first-row atoms in molecules
Basch, Harold
论文数:
0
引用数:
0
h-index:
0
机构:
Ford Motor Co, Sci Lab, Dearborn, MI 48121 USA
Ford Motor Co, Sci Lab, Dearborn, MI 48121 USA
Basch, Harold
Snyder, Lawrence C.
论文数:
0
引用数:
0
h-index:
0
机构:
Ford Motor Co, Sci Lab, Dearborn, MI 48121 USA
Snyder, Lawrence C.
[J].
CHEMICAL PHYSICS LETTERS,
1969,
3
(05)
: 333
-
336
[2]
On the interpretation of K-shell electron binding energy chemical shifts in molecules
Basch, Harold
论文数:
0
引用数:
0
h-index:
0
机构:
Ford Motor Co, Sci Res Staff, Dearborn, MI 48121 USA
Ford Motor Co, Sci Res Staff, Dearborn, MI 48121 USA
Basch, Harold
[J].
CHEMICAL PHYSICS LETTERS,
1970,
5
(06)
: 337
-
339
[3]
COMPARISON OF CORE-LEVEL BINDING ENERGY SHIFTS IN MOLECULES WITH PREDICTIONS BASED ON KOOPMANS THEOREM
DAVIS, DW
论文数:
0
引用数:
0
h-index:
0
DAVIS, DW
HOLLANDER, JM
论文数:
0
引用数:
0
h-index:
0
HOLLANDER, JM
SHIRLEY, DA
论文数:
0
引用数:
0
h-index:
0
SHIRLEY, DA
THOMAS, TD
论文数:
0
引用数:
0
h-index:
0
THOMAS, TD
[J].
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
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
SANTRY, DP
论文数:
0
引用数:
0
h-index:
0
SANTRY, DP
SEGAL, GA
论文数:
0
引用数:
0
h-index:
0
SEGAL, GA
[J].
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
Schwartz, M. E.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Notre Dame, Radiat Lab, Notre Dame, IN 46556 USA
Univ Notre Dame, Radiat Lab, Notre Dame, IN 46556 USA
Univ Notre Dame, Radiat Lab, Notre Dame, IN 46556 USA
Schwartz, M. E.
[J].
CHEMICAL PHYSICS LETTERS,
1970,
7
(01)
: 78
-
82
[7]
Correlation of 1s binding energy with the average quantum mechanical potential at A nucleus
Schwartz, Maurice E.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Notre Dame Lcc, Dept Chem, Notre Dame, IN 46556 USA
Univ Notre Dame Lcc, Radiat Lab, Notre Dame, IN 46556 USA
Univ Notre Dame Lcc, Dept Chem, Notre Dame, IN 46556 USA
Schwartz, Maurice E.
[J].
CHEMICAL PHYSICS LETTERS,
1970,
6
(06)
: 631
-
636
[8]
Direct calculation of binding energies of inner-shell electrons in molecules
Schwartz, Maurice E.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Notre Dame, Dept Chem, Notre Dame, IN 46556 USA
Univ Notre Dame, Radiat Lab, Notre Dame, IN 46556 USA
Univ Notre Dame, Dept Chem, Notre Dame, IN 46556 USA
Schwartz, Maurice E.
[J].
CHEMICAL PHYSICS LETTERS,
1970,
5
(01)
: 50
-
52
[9]
Siegbahn K., 1969, ESCA APPL FREE MOL
←
1
→