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NUCLEAR MAGNETIC-RESONANCE CHEMICAL-SHIFTS USING OPTIMIZED GEOMETRIES
被引:61
作者
:
CHESNUT, DB
论文数:
0
引用数:
0
h-index:
0
CHESNUT, DB
PHUNG, CG
论文数:
0
引用数:
0
h-index:
0
PHUNG, CG
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1989年
/ 91卷
/ 10期
关键词
:
D O I
:
10.1063/1.457390
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:6238 / 6245
页数:8
相关论文
共 51 条
[1]
LOW-TEMPERATURE C-13 MAGNETIC-RESONANCE IN SOLIDS .3. LINEAR AND PSEUDOLINEAR MOLECULES
[J].
BEELER, AJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
BEELER, AJ
;
ORENDT, AM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
ORENDT, AM
;
GRANT, DM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
GRANT, DM
;
CUTTS, PW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
CUTTS, PW
;
MICHL, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
MICHL, J
;
ZILM, KW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
ZILM, KW
;
DOWNING, JW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
DOWNING, JW
;
FACELLI, JC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
FACELLI, JC
;
SCHINDLER, MS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
SCHINDLER, MS
;
KUTZELNIGG, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
KUTZELNIGG, W
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(25)
:7672
-7676
[2]
N-15 MAGNETIC SHIELDING ANISOTROPIES IN N-15-NO-15
[J].
BHATTACHARYYA, PK
论文数:
0
引用数:
0
h-index:
0
机构:
COLUMBIA UNIV, DEPT CHEM, NEW YORK, NY 10027 USA
COLUMBIA UNIV, DEPT CHEM, NEW YORK, NY 10027 USA
BHATTACHARYYA, PK
;
DAILEY, BP
论文数:
0
引用数:
0
h-index:
0
机构:
COLUMBIA UNIV, DEPT CHEM, NEW YORK, NY 10027 USA
COLUMBIA UNIV, DEPT CHEM, NEW YORK, NY 10027 USA
DAILEY, BP
.
JOURNAL OF CHEMICAL PHYSICS,
1973,
59
(11)
:5820
-5823
[3]
Breitmaier E., 1987, CARBON 13 NMR SPECTR
[4]
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
[5]
LOCALLY DENSE BASIS-SETS FOR CHEMICAL-SHIFT CALCULATIONS
[J].
CHESNUT, DB
论文数:
0
引用数:
0
h-index:
0
CHESNUT, DB
;
MOORE, KD
论文数:
0
引用数:
0
h-index:
0
MOORE, KD
.
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1989,
10
(05)
:648
-659
[6]
NMR CHEMICAL-SHIFT BOND LENGTH DERIVATIVES OF THE 1ST-ROW AND 2ND-ROW HYDRIDES
[J].
CHESNUT, DB
论文数:
0
引用数:
0
h-index:
0
CHESNUT, DB
.
CHEMICAL PHYSICS,
1986,
110
(2-3)
:415
-420
[7]
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
[8]
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
[9]
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
[10]
MAGNETIC-PROPERTIES IN TERMS OF LOCALIZED QUANTITIES .11. FLUORINE-COMPOUNDS OF 1ST-ROW ELEMENTS
[J].
FLEISCHER, U
论文数:
0
引用数:
0
h-index:
0
FLEISCHER, U
;
SCHINDLER, M
论文数:
0
引用数:
0
h-index:
0
SCHINDLER, M
.
CHEMICAL PHYSICS,
1988,
120
(01)
:103
-121
←
1
2
3
4
5
6
→
共 51 条
[1]
LOW-TEMPERATURE C-13 MAGNETIC-RESONANCE IN SOLIDS .3. LINEAR AND PSEUDOLINEAR MOLECULES
[J].
BEELER, AJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
BEELER, AJ
;
ORENDT, AM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
ORENDT, AM
;
GRANT, DM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
GRANT, DM
;
CUTTS, PW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
CUTTS, PW
;
MICHL, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
MICHL, J
;
ZILM, KW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
ZILM, KW
;
DOWNING, JW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
DOWNING, JW
;
FACELLI, JC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
FACELLI, JC
;
SCHINDLER, MS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
SCHINDLER, MS
;
KUTZELNIGG, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
KUTZELNIGG, W
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(25)
:7672
-7676
[2]
N-15 MAGNETIC SHIELDING ANISOTROPIES IN N-15-NO-15
[J].
BHATTACHARYYA, PK
论文数:
0
引用数:
0
h-index:
0
机构:
COLUMBIA UNIV, DEPT CHEM, NEW YORK, NY 10027 USA
COLUMBIA UNIV, DEPT CHEM, NEW YORK, NY 10027 USA
BHATTACHARYYA, PK
;
DAILEY, BP
论文数:
0
引用数:
0
h-index:
0
机构:
COLUMBIA UNIV, DEPT CHEM, NEW YORK, NY 10027 USA
COLUMBIA UNIV, DEPT CHEM, NEW YORK, NY 10027 USA
DAILEY, BP
.
JOURNAL OF CHEMICAL PHYSICS,
1973,
59
(11)
:5820
-5823
[3]
Breitmaier E., 1987, CARBON 13 NMR SPECTR
[4]
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
[5]
LOCALLY DENSE BASIS-SETS FOR CHEMICAL-SHIFT CALCULATIONS
[J].
CHESNUT, DB
论文数:
0
引用数:
0
h-index:
0
CHESNUT, DB
;
MOORE, KD
论文数:
0
引用数:
0
h-index:
0
MOORE, KD
.
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1989,
10
(05)
:648
-659
[6]
NMR CHEMICAL-SHIFT BOND LENGTH DERIVATIVES OF THE 1ST-ROW AND 2ND-ROW HYDRIDES
[J].
CHESNUT, DB
论文数:
0
引用数:
0
h-index:
0
CHESNUT, DB
.
CHEMICAL PHYSICS,
1986,
110
(2-3)
:415
-420
[7]
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
[8]
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
[9]
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
[10]
MAGNETIC-PROPERTIES IN TERMS OF LOCALIZED QUANTITIES .11. FLUORINE-COMPOUNDS OF 1ST-ROW ELEMENTS
[J].
FLEISCHER, U
论文数:
0
引用数:
0
h-index:
0
FLEISCHER, U
;
SCHINDLER, M
论文数:
0
引用数:
0
h-index:
0
SCHINDLER, M
.
CHEMICAL PHYSICS,
1988,
120
(01)
:103
-121
←
1
2
3
4
5
6
→