AB-INITIO CALCULATIONS OF THE ESR SPECTRAL PARAMETERS OF IMIDAZOLE RADICALS

被引:0
|
作者
MEADOR, DL [1 ]
FINK, WH [1 ]
机构
[1] DEPT CHEM,DAVIS,CA 95616
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:184 / PHYS
相关论文
共 50 条
  • [1] Modeling of spectral signatures using ab-initio calculations
    Mirick, Jeffrey W.
    ACTIVE AND PASSIVE SIGNATURES, 2010, 7687
  • [2] AB-INITIO UHF CALCULATIONS .3. NH RADICALS
    CLAXTON, TA
    TRANSACTIONS OF THE FARADAY SOCIETY, 1970, 66 (571): : 1540 - &
  • [3] AB-INITIO CALCULATIONS ON SN RADICALS AND SN+ ION
    TOROK, F
    PULAY, P
    SZONDY, T
    NAGY, P
    ACTA CHIMICA ACADEMIAE SCIENTARIUM HUNGARICAE, 1974, 80 (02): : 139 - 145
  • [4] Ab-initio calculations of NMR parameters in condensed phases
    Sebastiani, D
    MODERN PHYSICS LETTERS B, 2003, 17 (25): : 1301 - 1319
  • [5] AB-INITIO CALCULATIONS FOR REACTION SURFACES INVOLVING FREE-RADICALS
    PEYERIMHOFF, SD
    BUENKER, RJ
    BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1974, 78 (02): : 119 - 127
  • [6] AB-INITIO CALCULATIONS ON PORPHIN
    ALMLOF, J
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (06) : 915 - 924
  • [7] ACETONE, AB-INITIO CALCULATIONS
    ALLINGER, NL
    HICKEY, MJ
    TETRAHEDRON, 1972, 28 (08) : 2157 - &
  • [8] AB-INITIO CALCULATIONS ON UREA
    ELBERT, ST
    DAVIDSON, ER
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (06) : 857 - 892
  • [9] Ab-initio ZORA calculations
    Faas, S
    Snijders, JG
    van Lenthe, JH
    QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS, VOL 1: BASIC PROBLEMS AND MODEL SYSTEMS, 2000, 2 : 251 - 261
  • [10] Structural parameters and transition pressures of ZnO: ab-initio calculations
    Saib, S.
    Bouarissa, N.
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2007, 244 (03): : 1063 - 1069