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 [1 ]
LAZZERETTI, P [1 ]
机构
[1] UNIV MODENA,DEPARTIMENTO CHIM,I-41100 MODENA,ITALY
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
相关论文
共 99 条
[1]   HARTREE-FOCK THEORY FOR NEGATIVE-IONS [J].
AHLRICHS, R .
CHEMICAL PHYSICS LETTERS, 1975, 34 (03) :570-574
[2]   FLUORINE CHEMICAL SHIELDING IN CH3F [J].
APPLEMAN, BR ;
TOKUHIRO, T ;
FRAENKEL, G ;
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 ;
TOKUHIRO, T ;
FRAENKEL, G ;
KERN, CW .
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (07) :2574-2583
[4]   SCF MOS AND MOLECULAR PROPERTIES OF METHYL FLUORIDE [J].
ARRIGHIN.GP ;
GUIDOTTI, C ;
MAESTRO, M ;
MOCCIA, R ;
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. ;
Maestro, M. ;
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. ;
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 ;
GUIDOTTI, C ;
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 ;
MAESTRO, M ;
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 ;
MAESTRO, M ;
MOCCIA, R .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (02) :882-+