RELATIVISTICALLY PARAMETERIZED EXTENDED HUCKEL CALCULATIONS .4. NUCLEAR SPIN-SPIN COUPLING TENSORS FOR MAIN GROUP ELEMENTS

被引:145
作者
PYYKKO, P
WIESENFELD, L
机构
[1] CTR ETUDES NUCL GRENOBLE, DEPT RECH FONDAMENTALE, CHIM ORGAN PHYS LAB, F-38041 GRENOBLE, FRANCE
[2] UNIV LIBRE BRUXELLES, CHIM ORGAN SERV, B-1050 BRUSSELS, BELGIUM
关键词
D O I
10.1080/00268978100101511
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:557 / 580
页数:24
相关论文
共 84 条
  • [1] AINBINDER NE, 1978, ADV NUCL QUADRUPOLE, V3, P67
  • [2] CALCULATION OF 1J(PP) ANGULAR-DEPENDENCE IN P-2 H-4
    ALBRAND, JP
    FAUCHER, H
    GAGNAIRE, D
    ROBERT, JB
    [J]. CHEMICAL PHYSICS LETTERS, 1976, 38 (03) : 521 - 523
  • [3] AMINOVA RM, 1974, ZH STRUKT KHIM, V15, P607
  • [4] CALCULATION OF NMR SPIN-SPIN COUPLING-CONSTANTS USING STANDARD LCAO-SCF-MO METHODS
    ANDRE, JM
    NAGY, JB
    DEROUANE, EG
    FRIPIAT, JG
    VERCAUTEREN, DP
    [J]. JOURNAL OF MAGNETIC RESONANCE, 1977, 26 (02) : 317 - 332
  • [5] ANDRIESSEN J, 1980, THESIS TH DELFT
  • [6] CALCULATION OF N.M.R SPIN-SPIN COUPLING CONSTANTS IN ETHYLENE
    ARMOUR, EAG
    STONE, AJ
    [J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1967, 302 (1468): : 25 - &
  • [7] ADDUCT BETWEEN TRIPHENYL PHOSPHINE AND TRIPHENYL PHOSPHINE TELLURIDE - TELLURIUM (O) COMPOUND
    AUSTAD, T
    ROD, T
    ASE, K
    SONGSTAD, J
    NORBURY, AH
    [J]. ACTA CHEMICA SCANDINAVICA, 1973, 27 (06): : 1939 - 1949
  • [8] SPIN-SPIN COUPLING-CONSTANTS IN ORGANOMETALLIC DERIVATIVES .1. SEMIEMPIRICAL APPROACH TO STUDY OF (D-P)PI CONTRIBUTION TO BONDS IN ORGANOSTANNANES
    BARBIERI, G
    BENASSI, R
    TADDEI, F
    [J]. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1977, 129 (01) : 27 - 40
  • [9] SEMIEMPIRICAL MO CALCULATIONS OF NUCLEAR SPIN COUPLING-CONSTANTS
    BARBIERI, G
    BENASSI, R
    LAZZERETTI, P
    TADDEI, F
    [J]. ORGANIC MAGNETIC RESONANCE, 1975, 7 (11): : 563 - 568
  • [10] CONFORMATIONAL DEPENDENCE AND MECHANISMS FOR LONG-RANGE H-H COUPLING-CONSTANTS OVER 4 BONDS
    BARFIELD, M
    DEAN, AM
    FALLICK, CJ
    SPEAR, RJ
    STERNHELL, S
    WESTERMAN, PW
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) : 1482 - 1492