THEORETICAL DETERMINATION OF THE NUCLEAR-SPIN SPIN COUPLING TENSORS IN NH2-,NH4+,BH4-MOLECULAR IONS

被引:9
作者
LAZZERETTI, P [1 ]
ROSSI, E [1 ]
TADDEI, F [1 ]
ZANASI, R [1 ]
机构
[1] UNIV MODENA,CTR CALCOLO ELETTR,I-41100 MODENA,ITALY
关键词
D O I
10.1063/1.444056
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:2023 / 2027
页数:5
相关论文
共 42 条
[1]  
BARBIERI G, 1975, GAZZ CHIM ITAL, V105, P807
[2]  
Barfield M, 1970, CHEM PHYS LETT, V5, P316
[3]   Anisotropy of the indirect nuclear spin-spin coupling constant [J].
Barfield, Michael .
CHEMICAL PHYSICS LETTERS, 1970, 4 (08) :518-520
[4]   FAST CI METHOD FOR 2ND-ORDER PROPERTIES [J].
BENDAZZOLI, GL ;
FANO, G ;
ORTOLANI, F ;
LAZZERETTI, P .
CHEMICAL PHYSICS LETTERS, 1979, 68 (01) :162-165
[5]  
BUCKINGHAM AD, 1970, J MAGN RESON, V2, P338, DOI [DOI 10.1016/0022-2364(70)90104-6, 10.1016/0022-2364(70)90104-6]
[6]   ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .6A. HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR GROUND STATES OF FIRST-ROW HYDRIDES AH [J].
CADE, PE ;
HUO, WM .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (02) :614-&
[7]  
CADE PE, 1967, J CHEM PHYS, V47, P649, DOI 10.1063/1.1711939
[8]  
CARSKY P, 1978, COLLECT CZECH CHEM C, V43, P1965
[9]   NMR-SPECTRA OF ORIENTED ACETYLENE-C-13 - REDETERMINATION OF SHRINKAGE EFFECTS AND ANALYSIS OF APPARENT TEMPERATURE-DEPENDENCE OF MOLECULAR GEOMETRY [J].
DIEHL, P ;
SYKORA, S ;
NIEDERBERGER, W ;
BURNELL, EE .
JOURNAL OF MAGNETIC RESONANCE, 1974, 14 (03) :260-269
[10]  
DIEHL P, 1979, ORG MAGN RESON, V12, P281