Density functional theory studies of NMR Si-29 chemical shifts in zeolites.

被引:0
|
作者
Nicholas, JB [1 ]
机构
[1] PACIFIC NW LAB, ENVIRONM MOL SCI LAB, RICHLAND, WA 99352 USA
来源
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1997年 / 213卷
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:33 / PETR
页数:1
相关论文
共 50 条
  • [1] Prediction of 29Si MAS NMR chemical shifts in zeolites using density functional theory
    Ecole Nationale Superieure de Chimie, Montpellier, France
    Microporous Mesoporous Mater, 1 (111-117):
  • [2] Prediction of 29Si MAS NMR chemical shifts in zeolites using density functional theory
    Valerio, G
    Goursot, A
    Vetrivel, R
    Salahub, DR
    MICROPOROUS AND MESOPOROUS MATERIALS, 1999, 30 (01) : 111 - 117
  • [3] SI-29 NMR CHEMICAL-SHIFTS IN SILICATES
    PRABAKAR, S
    RAO, KJ
    RAO, CNR
    CHEMICAL PHYSICS LETTERS, 1991, 183 (3-4) : 176 - 182
  • [4] Density functional theory calculation of 29Si NMR chemical shifts of organosiloxanes
    Casserly, TB
    Gleason, KK
    JOURNAL OF PHYSICAL CHEMISTRY B, 2005, 109 (28): : 13605 - 13610
  • [5] QUANTUM-CHEMICAL CALCULATIONS OF SI-29 CHEMICAL-SHIFTS IN ZEOLITES
    MALKIN, VG
    ZHIDOMIROV, GM
    ZEOLITES, 1990, 10 (03): : 207 - 209
  • [6] SI-29 MAS NMR OF ZEOLITES - SEMIEMPIRICAL INTERPRETATION OF CHEMICAL-SHIFTS AND THEIR RELATION TO STRUCTURE PARAMETERS
    ENGELHARDT, G
    RECENT ADVANCES IN ZEOLITE SCIENCE, 1989, 52 : 151 - 162
  • [7] THE COMPOSITIONAL DEPENDENCE OF SI-29 CHEMICAL-SHIFTS IN FAUJASITE FRAMEWORK ZEOLITES
    MELCHIOR, MT
    NEWSAM, JM
    ZEOLITES : FACTS, FIGURES, FUTURE, PTS A & B, 1989, 49 : 805 - 814
  • [8] SI-29 NMR-STUDIES OF SOME GALLIUM CONTAINING ZEOLITES
    VAUGHAN, DEW
    MELCHIOR, MT
    JACOBSON, AJ
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1982, 184 (SEP): : 53 - INOR
  • [9] 29Si NMR chemical shifts from Density Functional Theory incorporating solvent effects
    Butler, Keith
    Slater, Ben
    Lewis, Dewi W.
    ZEOLITES AND RELATED MATERIALS: TRENDS, TARGETS AND CHALLENGES, PROCEEDINGS OF THE 4TH INTERNATIONAL FEZA CONFERENCE, 2008, 174 : 725 - 728
  • [10] A STATISTICAL APPROACH TO THE INTERPRETATION OF SI-29 NMR OF ZEOLITES
    VEGA, AJ
    ACS SYMPOSIUM SERIES, 1983, 218 : 217 - 230