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An AB initio calculation of hype& fine coupling constants in hco radical
被引:16
作者
:
Hinchliffe, A.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Sussex, Sch Mol Sci, Brighton BN1 9QJ, E Sussex, England
Univ Sussex, Sch Mol Sci, Brighton BN1 9QJ, E Sussex, England
Hinchliffe, A.
[
1
]
Cook, D. B.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Sussex, Sch Mol Sci, Brighton BN1 9QJ, E Sussex, England
Cook, D. B.
机构
:
[1]
Univ Sussex, Sch Mol Sci, Brighton BN1 9QJ, E Sussex, England
[2]
Univ Sheffield, Dept Chem, Sheffield 10, S Yorkshire, England
来源
:
CHEMICAL PHYSICS LETTERS
|
1967年
/ 1卷
/ 05期
关键词
:
D O I
:
10.1016/0009-2614(67)85054-1
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
:
The results of a non empirical calculation of hyperfine coupling constants in HCO are presented. In good agreement with experiment.
引用
收藏
页码:217 / 218
页数:2
相关论文
共 9 条
[1]
EST SPECTRUM AND STRUCTURE OF FORMYL RADICAL
[J].
ADRIAN, FJ
论文数:
0
引用数:
0
h-index:
0
ADRIAN, FJ
;
COCHRAN, EL
论文数:
0
引用数:
0
h-index:
0
COCHRAN, EL
;
BOWERS, VA
论文数:
0
引用数:
0
h-index:
0
BOWERS, VA
.
JOURNAL OF CHEMICAL PHYSICS,
1962,
36
(06)
:1661
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[2]
SINGLE DETERMINANT WAVE FUNCTIONS
[J].
AMOS, AT
论文数:
0
引用数:
0
h-index:
0
AMOS, AT
;
HALL, GG
论文数:
0
引用数:
0
h-index:
0
HALL, GG
.
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES,
1961,
263
(1312)
:483
-+
[3]
A SEMI-EMPIRICAL CALCULATION OF HYDROGEN HYPERFINE COUPLING CONSTANTS IN SOME SIGMA ELECTRON RADICALS
[J].
ATHERTON, NM
论文数:
0
引用数:
0
h-index:
0
ATHERTON, NM
;
HINCHLIFFE, A
论文数:
0
引用数:
0
h-index:
0
HINCHLIFFE, A
.
MOLECULAR PHYSICS,
1967,
12
(04)
:349
-+
[4]
13C HYPERFINE SPLITTINGS IN ELECTRON SPIN RESONANCE SPECTRA OF HCO AND FCO
[J].
COCHRAN, EL
论文数:
0
引用数:
0
h-index:
0
COCHRAN, EL
;
ADRIAN, FJ
论文数:
0
引用数:
0
h-index:
0
ADRIAN, FJ
;
BOWERS, VA
论文数:
0
引用数:
0
h-index:
0
BOWERS, VA
.
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(12)
:4626
-&
[5]
ON THE NON-ORTHOGONALITY PROBLEM CONNECTED WITH THE USE OF ATOMIC WAVE FUNCTIONS IN THE THEORY OF MOLECULES AND CRYSTALS
[J].
LOWDIN, PO
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LOWDIN, PO
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JOURNAL OF CHEMICAL PHYSICS,
1950,
18
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-375
[6]
NEWTON MD, 1966, J CHEM PHYS, V46, P2329
[7]
SEMIEMPIRICAL CALCULATION OF EPR SPIN-SPIN COUPLING CONSTANTS
[J].
PETERSSON, GA
论文数:
0
引用数:
0
h-index:
0
PETERSSON, GA
;
MCLACHLAN, AD
论文数:
0
引用数:
0
h-index:
0
MCLACHLAN, AD
.
JOURNAL OF CHEMICAL PHYSICS,
1966,
45
(02)
:628
-+
[8]
APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .I. INVARIANT PROCEDURES
[J].
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
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
43
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:S129
-+
[9]
HYPERFINE ELECTRON SPIN RESONANCE SPECTRUM OF NH2 FREE RADICAL
[J].
SUTCLIFFE, BT
论文数:
0
引用数:
0
h-index:
0
SUTCLIFFE, BT
.
JOURNAL OF CHEMICAL PHYSICS,
1963,
39
(12)
:3322
-&
←
1
→
共 9 条
[1]
EST SPECTRUM AND STRUCTURE OF FORMYL RADICAL
[J].
ADRIAN, FJ
论文数:
0
引用数:
0
h-index:
0
ADRIAN, FJ
;
COCHRAN, EL
论文数:
0
引用数:
0
h-index:
0
COCHRAN, EL
;
BOWERS, VA
论文数:
0
引用数:
0
h-index:
0
BOWERS, VA
.
JOURNAL OF CHEMICAL PHYSICS,
1962,
36
(06)
:1661
-&
[2]
SINGLE DETERMINANT WAVE FUNCTIONS
[J].
AMOS, AT
论文数:
0
引用数:
0
h-index:
0
AMOS, AT
;
HALL, GG
论文数:
0
引用数:
0
h-index:
0
HALL, GG
.
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES,
1961,
263
(1312)
:483
-+
[3]
A SEMI-EMPIRICAL CALCULATION OF HYDROGEN HYPERFINE COUPLING CONSTANTS IN SOME SIGMA ELECTRON RADICALS
[J].
ATHERTON, NM
论文数:
0
引用数:
0
h-index:
0
ATHERTON, NM
;
HINCHLIFFE, A
论文数:
0
引用数:
0
h-index:
0
HINCHLIFFE, A
.
MOLECULAR PHYSICS,
1967,
12
(04)
:349
-+
[4]
13C HYPERFINE SPLITTINGS IN ELECTRON SPIN RESONANCE SPECTRA OF HCO AND FCO
[J].
COCHRAN, EL
论文数:
0
引用数:
0
h-index:
0
COCHRAN, EL
;
ADRIAN, FJ
论文数:
0
引用数:
0
h-index:
0
ADRIAN, FJ
;
BOWERS, VA
论文数:
0
引用数:
0
h-index:
0
BOWERS, VA
.
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(12)
:4626
-&
[5]
ON THE NON-ORTHOGONALITY PROBLEM CONNECTED WITH THE USE OF ATOMIC WAVE FUNCTIONS IN THE THEORY OF MOLECULES AND CRYSTALS
[J].
LOWDIN, PO
论文数:
0
引用数:
0
h-index:
0
LOWDIN, PO
.
JOURNAL OF CHEMICAL PHYSICS,
1950,
18
(03)
:365
-375
[6]
NEWTON MD, 1966, J CHEM PHYS, V46, P2329
[7]
SEMIEMPIRICAL CALCULATION OF EPR SPIN-SPIN COUPLING CONSTANTS
[J].
PETERSSON, GA
论文数:
0
引用数:
0
h-index:
0
PETERSSON, GA
;
MCLACHLAN, AD
论文数:
0
引用数:
0
h-index:
0
MCLACHLAN, AD
.
JOURNAL OF CHEMICAL PHYSICS,
1966,
45
(02)
:628
-+
[8]
APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .I. INVARIANT PROCEDURES
[J].
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
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
43
(10)
:S129
-+
[9]
HYPERFINE ELECTRON SPIN RESONANCE SPECTRUM OF NH2 FREE RADICAL
[J].
SUTCLIFFE, BT
论文数:
0
引用数:
0
h-index:
0
SUTCLIFFE, BT
.
JOURNAL OF CHEMICAL PHYSICS,
1963,
39
(12)
:3322
-&
←
1
→