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ABINITIO CALCULATIONS OF SI-29 NMR CHEMICAL-SHIFTS FOR SOME GAS-PHASE AND SOLID-STATE SILICON FLUORIDES AND OXIDES
被引:53
作者
:
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
[
1
]
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
[
1
]
机构
:
[1]
UNIV MODENA,DEPARTIMENTO CHIM,I-41100 MODENA,ITALY
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1986年
/ 84卷
/ 01期
关键词
:
D O I
:
10.1063/1.450146
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:369 / 374
页数:6
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CHEMICAL PHYSICS LETTERS,
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FLUORINE CHEMICAL SHIELDING IN CH3F
[J].
APPLEMAN, BR
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OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
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OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
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;
KERN, CW
论文数:
0
引用数:
0
h-index:
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OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
KERN, CW
.
JOURNAL OF CHEMICAL PHYSICS,
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58
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:400
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THEORETICAL STUDIES OF HEAVY-ATOM MAGNETIC SHIELDING IN SOME SMALL POLYATOMIC-MOLECULES
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SCF MOS AND MOLECULAR PROPERTIES OF METHYL FLUORIDE
[J].
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Centra di Chimica Teorica, C.N.R., Istituto di Chimica Fisica dell'Università, 56100 Pisa, Via Risorgimento
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JOURNAL OF CHEMICAL PHYSICS,
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(02)
:480
-&
[5]
Magnetic properties of polyatomic molecules. III. Magnetic shielding constants of heavy nuclei in (H2O)-O-17, (NH3)-N-14, (CH4)-C-13 and (CH3F)-C-13
[J].
Arrighini, G. P.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Pisa, Ist Chim Fis, I-56100 Pisa, Italy
Univ Pisa, Ist Chim Fis, I-56100 Pisa, Italy
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;
Maestro, M.
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Univ Pisa, Ist Chim Fis, I-56100 Pisa, Italy
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.
CHEMICAL PHYSICS LETTERS,
1970,
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:351
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[6]
Experimental data and AB initio calculations of some one-electron properties of the H2O molecule: A comparison
[J].
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论文数:
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Univ Pisa, Ist Chim Fis, I-56100 Pisa, Italy
Univ Pisa, Ist Chim Fis, I-56100 Pisa, Italy
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;
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论文数:
0
引用数:
0
h-index:
0
机构:
CNR, Lab Chim Quantist Energet mol, I-56100 Pisa, Italy
Univ Pisa, Ist Chim Fis, I-56100 Pisa, Italy
Guidotti, C.
.
CHEMICAL PHYSICS LETTERS,
1970,
6
(05)
:435
-437
[7]
ARRIGHINI GP, 1971, J CHEM PHYS, V54, P825, DOI 10.1063/1.1674928
[8]
SCF MOS AND MOLECULAR PROPERTIES OF H2O
[J].
ARRIGHINI, GP
论文数:
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0
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.
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-+
[9]
MAGNETIC PROPERTIES OF POLYATOMIC MOLECULES .2. PROTON MAGNETIC SHIELDING CONSTANTS IN H2O, NH3, CH4, AND CH3F
[J].
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[J].
ARRIGHINI, GP
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica Del C.N.R, Istituto di Chimica Fisica, Dell'Universitè di Pisa, Pisa
ARRIGHINI, GP
;
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论文数:
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引用数:
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h-index:
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机构:
Centra di Chimica Teorica Del C.N.R, Istituto di Chimica Fisica, Dell'Universitè di Pisa, Pisa
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;
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论文数:
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引用数:
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h-index:
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机构:
Centra di Chimica Teorica Del C.N.R, Istituto di Chimica Fisica, Dell'Universitè di Pisa, Pisa
MOCCIA, R
.
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(02)
:882
-+
←
1
2
3
4
5
6
7
8
9
10
→
共 99 条
[1]
HARTREE-FOCK THEORY FOR NEGATIVE-IONS
[J].
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE,INST PHYS CHEM & ELEKTROCHEM,KARLSRUHE,FED REP GER
UNIV KARLSRUHE,INST PHYS CHEM & ELEKTROCHEM,KARLSRUHE,FED REP GER
AHLRICHS, R
.
CHEMICAL PHYSICS LETTERS,
1975,
34
(03)
:570
-574
[2]
FLUORINE CHEMICAL SHIELDING IN CH3F
[J].
APPLEMAN, BR
论文数:
0
引用数:
0
h-index:
0
机构:
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
APPLEMAN, BR
;
TOKUHIRO, T
论文数:
0
引用数:
0
h-index:
0
机构:
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
TOKUHIRO, T
;
FRAENKEL, G
论文数:
0
引用数:
0
h-index:
0
机构:
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
FRAENKEL, G
;
KERN, CW
论文数:
0
引用数:
0
h-index:
0
机构:
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
KERN, CW
.
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(01)
:400
-402
[3]
THEORETICAL STUDIES OF HEAVY-ATOM MAGNETIC SHIELDING IN SOME SMALL POLYATOMIC-MOLECULES
[J].
APPLEMAN, BR
论文数:
0
引用数:
0
h-index:
0
机构:
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
APPLEMAN, BR
;
TOKUHIRO, T
论文数:
0
引用数:
0
h-index:
0
机构:
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
TOKUHIRO, T
;
FRAENKEL, G
论文数:
0
引用数:
0
h-index:
0
机构:
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
FRAENKEL, G
;
KERN, CW
论文数:
0
引用数:
0
h-index:
0
机构:
OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
KERN, CW
.
JOURNAL OF CHEMICAL PHYSICS,
1974,
60
(07)
:2574
-2583
[4]
SCF MOS AND MOLECULAR PROPERTIES OF METHYL FLUORIDE
[J].
ARRIGHIN.GP
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica, C.N.R., Istituto di Chimica Fisica dell'Università, 56100 Pisa, Via Risorgimento
ARRIGHIN.GP
;
GUIDOTTI, C
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica, C.N.R., Istituto di Chimica Fisica dell'Università, 56100 Pisa, Via Risorgimento
GUIDOTTI, C
;
MAESTRO, M
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica, C.N.R., Istituto di Chimica Fisica dell'Università, 56100 Pisa, Via Risorgimento
MAESTRO, M
;
MOCCIA, R
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica, C.N.R., Istituto di Chimica Fisica dell'Università, 56100 Pisa, Via Risorgimento
MOCCIA, R
;
SALVETTI, O
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica, C.N.R., Istituto di Chimica Fisica dell'Università, 56100 Pisa, Via Risorgimento
SALVETTI, O
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(02)
:480
-&
[5]
Magnetic properties of polyatomic molecules. III. Magnetic shielding constants of heavy nuclei in (H2O)-O-17, (NH3)-N-14, (CH4)-C-13 and (CH3F)-C-13
[J].
Arrighini, G. P.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Pisa, Ist Chim Fis, I-56100 Pisa, Italy
Univ Pisa, Ist Chim Fis, I-56100 Pisa, Italy
Arrighini, G. P.
;
Maestro, M.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Pisa, Ist Chim Fis, I-56100 Pisa, Italy
Univ Pisa, Ist Chim Fis, I-56100 Pisa, Italy
Maestro, M.
;
Moccia, R.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Pisa, Ist Chim Fis, I-56100 Pisa, Italy
Univ Pisa, Ist Chim Fis, I-56100 Pisa, Italy
Moccia, R.
.
CHEMICAL PHYSICS LETTERS,
1970,
7
(03)
:351
-353
[6]
Experimental data and AB initio calculations of some one-electron properties of the H2O molecule: A comparison
[J].
Arrighini, G. P.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Pisa, Ist Chim Fis, I-56100 Pisa, Italy
Univ Pisa, Ist Chim Fis, I-56100 Pisa, Italy
Arrighini, G. P.
;
Guidotti, C.
论文数:
0
引用数:
0
h-index:
0
机构:
CNR, Lab Chim Quantist Energet mol, I-56100 Pisa, Italy
Univ Pisa, Ist Chim Fis, I-56100 Pisa, Italy
Guidotti, C.
.
CHEMICAL PHYSICS LETTERS,
1970,
6
(05)
:435
-437
[7]
ARRIGHINI GP, 1971, J CHEM PHYS, V54, P825, DOI 10.1063/1.1674928
[8]
SCF MOS AND MOLECULAR PROPERTIES OF H2O
[J].
ARRIGHINI, GP
论文数:
0
引用数:
0
h-index:
0
ARRIGHINI, GP
;
GUIDOTTI, C
论文数:
0
引用数:
0
h-index:
0
GUIDOTTI, C
;
SALVETTI, O
论文数:
0
引用数:
0
h-index:
0
SALVETTI, O
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(03)
:1037
-+
[9]
MAGNETIC PROPERTIES OF POLYATOMIC MOLECULES .2. PROTON MAGNETIC SHIELDING CONSTANTS IN H2O, NH3, CH4, AND CH3F
[J].
ARRIGHINI, GP
论文数:
0
引用数:
0
h-index:
0
ARRIGHINI, GP
;
MAESTRO, M
论文数:
0
引用数:
0
h-index:
0
MAESTRO, M
;
MOCCIA, R
论文数:
0
引用数:
0
h-index:
0
MOCCIA, R
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(12)
:6411
-+
[10]
MAGNETIC PROPERTIES OF POLYATOMIC MOLECULES .I. MAGNETIC SUSCEPTIBILITY OF H2O,NH3, CH4, H2O2
[J].
ARRIGHINI, GP
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica Del C.N.R, Istituto di Chimica Fisica, Dell'Universitè di Pisa, Pisa
ARRIGHINI, GP
;
MAESTRO, M
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica Del C.N.R, Istituto di Chimica Fisica, Dell'Universitè di Pisa, Pisa
MAESTRO, M
;
MOCCIA, R
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica Del C.N.R, Istituto di Chimica Fisica, Dell'Universitè di Pisa, Pisa
MOCCIA, R
.
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(02)
:882
-+
←
1
2
3
4
5
6
7
8
9
10
→