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NMR CHEMICAL-SHIFT BOND LENGTH DERIVATIVES OF THE 1ST-ROW AND 2ND-ROW HYDRIDES
被引:50
作者
:
CHESNUT, DB
论文数:
0
引用数:
0
h-index:
0
CHESNUT, DB
机构
:
来源
:
CHEMICAL PHYSICS
|
1986年
/ 110卷
/ 2-3期
关键词
:
D O I
:
10.1016/0301-0104(86)87096-3
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:415 / 420
页数:6
相关论文
共 33 条
[1]
BINKLEY JS, 1982, GAUSSIAN 82
[2]
SOME SIMPLE BASIS-SETS FOR ACCURATE C-13 CHEMICAL-SHIFT CALCULATIONS
[J].
CHESNUT, DB
论文数:
0
引用数:
0
h-index:
0
CHESNUT, DB
;
FOLEY, CK
论文数:
0
引用数:
0
h-index:
0
FOLEY, CK
.
CHEMICAL PHYSICS LETTERS,
1985,
118
(03)
:316
-321
[3]
A BASIS SET STUDY OF THE NMR CHEMICAL-SHIFT IN PH3
[J].
CHESNUT, DB
论文数:
0
引用数:
0
h-index:
0
CHESNUT, DB
;
FOLEY, CK
论文数:
0
引用数:
0
h-index:
0
FOLEY, CK
.
JOURNAL OF CHEMICAL PHYSICS,
1986,
85
(05)
:2814
-2820
[4]
CHEMICAL-SHIFTS AND BOND MODIFICATION EFFECTS FOR SOME SMALL 1ST-ROW-ATOM MOLECULES
[J].
CHESNUT, DB
论文数:
0
引用数:
0
h-index:
0
CHESNUT, DB
;
FOLEY, CK
论文数:
0
引用数:
0
h-index:
0
FOLEY, CK
.
JOURNAL OF CHEMICAL PHYSICS,
1986,
84
(02)
:852
-861
[5]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
[J].
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
:724
-+
[6]
THEORETICAL-STUDIES OF THE TEMPERATURE-DEPENDENCE OF MAGNETIC SHIELDING TENSORS - H-2, HF, AND LIH
[J].
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
.
CHEMICAL PHYSICS,
1981,
63
(1-2)
:185
-202
[7]
SELF-CONSISTENT PERTURBATION-THEORY OF DIAMAGNETISM .1. GAUGE-INVARIANT LCAO METHOD FOR NMR CHEMICAL-SHIFTS
[J].
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
机构:
DARTMOUTH COLL, DEPT CHEM, HANOVER, NH 03755 USA
DARTMOUTH COLL, DEPT CHEM, HANOVER, NH 03755 USA
DITCHFIELD, R
.
MOLECULAR PHYSICS,
1974,
27
(04)
:789
-807
[8]
THE EFFECTS OF ROTATION, VIBRATION AND ISOTOPIC-SUBSTITUTION ON THE ELECTRIC-DIPOLE MOMENT, THE MAGNETIZABILITY AND THE NUCLEAR MAGNETIC SHIELDING OF THE WATER MOLECULE
[J].
FOWLER, PW
论文数:
0
引用数:
0
h-index:
0
FOWLER, PW
;
RAYNES, WT
论文数:
0
引用数:
0
h-index:
0
RAYNES, WT
.
MOLECULAR PHYSICS,
1981,
43
(01)
:65
-82
[9]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .23. A POLARIZATION-TYPE BASIS SET FOR 2ND-ROW ELEMENTS
[J].
FRANCL, MM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
FRANCL, MM
;
PIETRO, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
PIETRO, WJ
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
HEHRE, WJ
;
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
BINKLEY, JS
;
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
GORDON, MS
;
DEFREES, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
DEFREES, DJ
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
77
(07)
:3654
-3665
[10]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .25. SUPPLEMENTARY FUNCTIONS FOR GAUSSIAN-BASIS SETS
[J].
FRISCH, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
FRISCH, MJ
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
POPLE, JA
;
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
BINKLEY, JS
.
JOURNAL OF CHEMICAL PHYSICS,
1984,
80
(07)
:3265
-3269
←
1
2
3
4
→
共 33 条
[1]
BINKLEY JS, 1982, GAUSSIAN 82
[2]
SOME SIMPLE BASIS-SETS FOR ACCURATE C-13 CHEMICAL-SHIFT CALCULATIONS
[J].
CHESNUT, DB
论文数:
0
引用数:
0
h-index:
0
CHESNUT, DB
;
FOLEY, CK
论文数:
0
引用数:
0
h-index:
0
FOLEY, CK
.
CHEMICAL PHYSICS LETTERS,
1985,
118
(03)
:316
-321
[3]
A BASIS SET STUDY OF THE NMR CHEMICAL-SHIFT IN PH3
[J].
CHESNUT, DB
论文数:
0
引用数:
0
h-index:
0
CHESNUT, DB
;
FOLEY, CK
论文数:
0
引用数:
0
h-index:
0
FOLEY, CK
.
JOURNAL OF CHEMICAL PHYSICS,
1986,
85
(05)
:2814
-2820
[4]
CHEMICAL-SHIFTS AND BOND MODIFICATION EFFECTS FOR SOME SMALL 1ST-ROW-ATOM MOLECULES
[J].
CHESNUT, DB
论文数:
0
引用数:
0
h-index:
0
CHESNUT, DB
;
FOLEY, CK
论文数:
0
引用数:
0
h-index:
0
FOLEY, CK
.
JOURNAL OF CHEMICAL PHYSICS,
1986,
84
(02)
:852
-861
[5]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
[J].
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
:724
-+
[6]
THEORETICAL-STUDIES OF THE TEMPERATURE-DEPENDENCE OF MAGNETIC SHIELDING TENSORS - H-2, HF, AND LIH
[J].
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
.
CHEMICAL PHYSICS,
1981,
63
(1-2)
:185
-202
[7]
SELF-CONSISTENT PERTURBATION-THEORY OF DIAMAGNETISM .1. GAUGE-INVARIANT LCAO METHOD FOR NMR CHEMICAL-SHIFTS
[J].
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
机构:
DARTMOUTH COLL, DEPT CHEM, HANOVER, NH 03755 USA
DARTMOUTH COLL, DEPT CHEM, HANOVER, NH 03755 USA
DITCHFIELD, R
.
MOLECULAR PHYSICS,
1974,
27
(04)
:789
-807
[8]
THE EFFECTS OF ROTATION, VIBRATION AND ISOTOPIC-SUBSTITUTION ON THE ELECTRIC-DIPOLE MOMENT, THE MAGNETIZABILITY AND THE NUCLEAR MAGNETIC SHIELDING OF THE WATER MOLECULE
[J].
FOWLER, PW
论文数:
0
引用数:
0
h-index:
0
FOWLER, PW
;
RAYNES, WT
论文数:
0
引用数:
0
h-index:
0
RAYNES, WT
.
MOLECULAR PHYSICS,
1981,
43
(01)
:65
-82
[9]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .23. A POLARIZATION-TYPE BASIS SET FOR 2ND-ROW ELEMENTS
[J].
FRANCL, MM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
FRANCL, MM
;
PIETRO, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
PIETRO, WJ
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
HEHRE, WJ
;
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
BINKLEY, JS
;
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
GORDON, MS
;
DEFREES, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
DEFREES, DJ
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
77
(07)
:3654
-3665
[10]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .25. SUPPLEMENTARY FUNCTIONS FOR GAUSSIAN-BASIS SETS
[J].
FRISCH, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
FRISCH, MJ
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
POPLE, JA
;
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
BINKLEY, JS
.
JOURNAL OF CHEMICAL PHYSICS,
1984,
80
(07)
:3265
-3269
←
1
2
3
4
→