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LOCALLY DENSE BASIS-SETS FOR CHEMICAL-SHIFT CALCULATIONS
被引:242
作者
:
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
机构
:
来源
:
JOURNAL OF COMPUTATIONAL CHEMISTRY
|
1989年
/ 10卷
/ 05期
关键词
:
D O I
:
10.1002/jcc.540100507
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:648 / 659
页数:12
相关论文
共 49 条
[41]
ABINITIO CALCULATIONS OF SI-29 NMR CHEMICAL-SHIFTS FOR SOME GAS-PHASE AND SOLID-STATE SILICON FLUORIDES AND OXIDES
[J].
TOSSELL, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MODENA,DEPARTIMENTO CHIM,I-41100 MODENA,ITALY
UNIV MODENA,DEPARTIMENTO CHIM,I-41100 MODENA,ITALY
TOSSELL, JA
;
LAZZERETTI, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MODENA,DEPARTIMENTO CHIM,I-41100 MODENA,ITALY
UNIV MODENA,DEPARTIMENTO CHIM,I-41100 MODENA,ITALY
LAZZERETTI, P
.
JOURNAL OF CHEMICAL PHYSICS,
1986,
84
(01)
:369
-374
[42]
ON THE SAGGING PATTERN OF SI-29 NMR SHIELDINGS IN THE SERIES SIHAFB, A+B=4
[J].
TOSSELL, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MODENA,DIPARTIMENTO CHIM,I-44100 MODENA,ITALY
UNIV MODENA,DIPARTIMENTO CHIM,I-44100 MODENA,ITALY
TOSSELL, JA
;
LAZZERETTI, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MODENA,DIPARTIMENTO CHIM,I-44100 MODENA,ITALY
UNIV MODENA,DIPARTIMENTO CHIM,I-44100 MODENA,ITALY
LAZZERETTI, P
.
CHEMICAL PHYSICS LETTERS,
1986,
132
(4-5)
:464
-466
[43]
C-13 NUCLEAR MAGNETIC-RESONANCE CHEMICAL-SHIFTS OF SMALL HYDROCARBONS IN GAS-PHASE
[J].
VANDEVEN, LJM
论文数:
0
引用数:
0
h-index:
0
VANDEVEN, LJM
;
DEHAAN, JW
论文数:
0
引用数:
0
h-index:
0
DEHAAN, JW
.
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS,
1978,
(03)
:94
-95
[44]
A MORE RELIABLE O-17 ABSOLUTE CHEMICAL SHIELDING SCALE
[J].
WASYLISHEN, RE
论文数:
0
引用数:
0
h-index:
0
WASYLISHEN, RE
;
MOOIBROEK, S
论文数:
0
引用数:
0
h-index:
0
MOOIBROEK, S
;
MACDONALD, JB
论文数:
0
引用数:
0
h-index:
0
MACDONALD, JB
.
JOURNAL OF CHEMICAL PHYSICS,
1984,
81
(03)
:1057
-1059
[45]
WAUGH JS, 1972, 17TH P C AMP TURK
[46]
AN ALL ATOM FORCE-FIELD FOR SIMULATIONS OF PROTEINS AND NUCLEIC-ACIDS
[J].
WEINER, SJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF DAVIS,DEPT CHEM,DAVIS,CA 95616
UNIV CALIF DAVIS,DEPT CHEM,DAVIS,CA 95616
WEINER, SJ
;
KOLLMAN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF DAVIS,DEPT CHEM,DAVIS,CA 95616
UNIV CALIF DAVIS,DEPT CHEM,DAVIS,CA 95616
KOLLMAN, PA
;
NGUYEN, DT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF DAVIS,DEPT CHEM,DAVIS,CA 95616
UNIV CALIF DAVIS,DEPT CHEM,DAVIS,CA 95616
NGUYEN, DT
;
CASE, DA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF DAVIS,DEPT CHEM,DAVIS,CA 95616
UNIV CALIF DAVIS,DEPT CHEM,DAVIS,CA 95616
CASE, DA
.
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1986,
7
(02)
:230
-252
[47]
ABINITIO CALCULATION OF MAGNETIC-PROPERTIES OF CO, THE EQUILIBRIUM GEOMETRY AND THE C-13, O-17 AND AL-27 NMR SHIELDING TENSORS OF THE SYSTEM AL+/CO
[J].
WELLER, T
论文数:
0
引用数:
0
h-index:
0
机构:
KARL MARX UNIV,ORZ,DDR-7010 LEIPZIG,GER DEM REP
WELLER, T
;
MEILER, W
论文数:
0
引用数:
0
h-index:
0
机构:
KARL MARX UNIV,ORZ,DDR-7010 LEIPZIG,GER DEM REP
MEILER, W
;
KOHLER, HJ
论文数:
0
引用数:
0
h-index:
0
机构:
KARL MARX UNIV,ORZ,DDR-7010 LEIPZIG,GER DEM REP
KOHLER, HJ
;
LISCHKA, H
论文数:
0
引用数:
0
h-index:
0
机构:
KARL MARX UNIV,ORZ,DDR-7010 LEIPZIG,GER DEM REP
LISCHKA, H
;
HOLLER, R
论文数:
0
引用数:
0
h-index:
0
机构:
KARL MARX UNIV,ORZ,DDR-7010 LEIPZIG,GER DEM REP
HOLLER, R
.
CHEMICAL PHYSICS LETTERS,
1983,
98
(06)
:541
-544
[48]
C-13 DIPOLAR SPECTROSCOPY OF SMALL ORGANIC-MOLECULES IN ARGON MATRICES
[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
;
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
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(11)
:2913
-2922
[49]
C-13 MAGNETIC-RESONANCE DIPOLAR SPECTROSCOPY - ORIENTATION OF THE CHEMICAL-SHIFT TENSOR IN CYCLOPROPANE
[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
ZILM, KW
;
BEELER, AJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
BEELER, AJ
;
GRANT, DM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
GRANT, DM
;
MICHL, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
MICHL, J
;
CHOU, TC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
CHOU, TC
;
ALLRED, EL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
ALLRED, EL
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(08)
:2119
-2120
←
1
2
3
4
5
→
共 49 条
[41]
ABINITIO CALCULATIONS OF SI-29 NMR CHEMICAL-SHIFTS FOR SOME GAS-PHASE AND SOLID-STATE SILICON FLUORIDES AND OXIDES
[J].
TOSSELL, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MODENA,DEPARTIMENTO CHIM,I-41100 MODENA,ITALY
UNIV MODENA,DEPARTIMENTO CHIM,I-41100 MODENA,ITALY
TOSSELL, JA
;
LAZZERETTI, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MODENA,DEPARTIMENTO CHIM,I-41100 MODENA,ITALY
UNIV MODENA,DEPARTIMENTO CHIM,I-41100 MODENA,ITALY
LAZZERETTI, P
.
JOURNAL OF CHEMICAL PHYSICS,
1986,
84
(01)
:369
-374
[42]
ON THE SAGGING PATTERN OF SI-29 NMR SHIELDINGS IN THE SERIES SIHAFB, A+B=4
[J].
TOSSELL, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MODENA,DIPARTIMENTO CHIM,I-44100 MODENA,ITALY
UNIV MODENA,DIPARTIMENTO CHIM,I-44100 MODENA,ITALY
TOSSELL, JA
;
LAZZERETTI, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MODENA,DIPARTIMENTO CHIM,I-44100 MODENA,ITALY
UNIV MODENA,DIPARTIMENTO CHIM,I-44100 MODENA,ITALY
LAZZERETTI, P
.
CHEMICAL PHYSICS LETTERS,
1986,
132
(4-5)
:464
-466
[43]
C-13 NUCLEAR MAGNETIC-RESONANCE CHEMICAL-SHIFTS OF SMALL HYDROCARBONS IN GAS-PHASE
[J].
VANDEVEN, LJM
论文数:
0
引用数:
0
h-index:
0
VANDEVEN, LJM
;
DEHAAN, JW
论文数:
0
引用数:
0
h-index:
0
DEHAAN, JW
.
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS,
1978,
(03)
:94
-95
[44]
A MORE RELIABLE O-17 ABSOLUTE CHEMICAL SHIELDING SCALE
[J].
WASYLISHEN, RE
论文数:
0
引用数:
0
h-index:
0
WASYLISHEN, RE
;
MOOIBROEK, S
论文数:
0
引用数:
0
h-index:
0
MOOIBROEK, S
;
MACDONALD, JB
论文数:
0
引用数:
0
h-index:
0
MACDONALD, JB
.
JOURNAL OF CHEMICAL PHYSICS,
1984,
81
(03)
:1057
-1059
[45]
WAUGH JS, 1972, 17TH P C AMP TURK
[46]
AN ALL ATOM FORCE-FIELD FOR SIMULATIONS OF PROTEINS AND NUCLEIC-ACIDS
[J].
WEINER, SJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF DAVIS,DEPT CHEM,DAVIS,CA 95616
UNIV CALIF DAVIS,DEPT CHEM,DAVIS,CA 95616
WEINER, SJ
;
KOLLMAN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF DAVIS,DEPT CHEM,DAVIS,CA 95616
UNIV CALIF DAVIS,DEPT CHEM,DAVIS,CA 95616
KOLLMAN, PA
;
NGUYEN, DT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF DAVIS,DEPT CHEM,DAVIS,CA 95616
UNIV CALIF DAVIS,DEPT CHEM,DAVIS,CA 95616
NGUYEN, DT
;
CASE, DA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF DAVIS,DEPT CHEM,DAVIS,CA 95616
UNIV CALIF DAVIS,DEPT CHEM,DAVIS,CA 95616
CASE, DA
.
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1986,
7
(02)
:230
-252
[47]
ABINITIO CALCULATION OF MAGNETIC-PROPERTIES OF CO, THE EQUILIBRIUM GEOMETRY AND THE C-13, O-17 AND AL-27 NMR SHIELDING TENSORS OF THE SYSTEM AL+/CO
[J].
WELLER, T
论文数:
0
引用数:
0
h-index:
0
机构:
KARL MARX UNIV,ORZ,DDR-7010 LEIPZIG,GER DEM REP
WELLER, T
;
MEILER, W
论文数:
0
引用数:
0
h-index:
0
机构:
KARL MARX UNIV,ORZ,DDR-7010 LEIPZIG,GER DEM REP
MEILER, W
;
KOHLER, HJ
论文数:
0
引用数:
0
h-index:
0
机构:
KARL MARX UNIV,ORZ,DDR-7010 LEIPZIG,GER DEM REP
KOHLER, HJ
;
LISCHKA, H
论文数:
0
引用数:
0
h-index:
0
机构:
KARL MARX UNIV,ORZ,DDR-7010 LEIPZIG,GER DEM REP
LISCHKA, H
;
HOLLER, R
论文数:
0
引用数:
0
h-index:
0
机构:
KARL MARX UNIV,ORZ,DDR-7010 LEIPZIG,GER DEM REP
HOLLER, R
.
CHEMICAL PHYSICS LETTERS,
1983,
98
(06)
:541
-544
[48]
C-13 DIPOLAR SPECTROSCOPY OF SMALL ORGANIC-MOLECULES IN ARGON MATRICES
[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
;
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
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(11)
:2913
-2922
[49]
C-13 MAGNETIC-RESONANCE DIPOLAR SPECTROSCOPY - ORIENTATION OF THE CHEMICAL-SHIFT TENSOR IN CYCLOPROPANE
[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
ZILM, KW
;
BEELER, AJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
BEELER, AJ
;
GRANT, DM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
GRANT, DM
;
MICHL, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
MICHL, J
;
CHOU, TC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
CHOU, TC
;
ALLRED, EL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
ALLRED, EL
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(08)
:2119
-2120
←
1
2
3
4
5
→