| プログラム番号 | P106 |
|---|---|
| プロクラム名 | 1PULSE.FOR, 2PULSE.FOR, 3PULSE.FOR |
| 著者 | Thomas P. Spaniol, Atsushi Kubo |
| 所属と連絡先 | Thomas P. Spaniol : Johannes Gutenberg‐Univ. Mainz Istitut fur Anorg. und Anal. Chem. Johann-Joachim-Becher-Weg 24, D-55099 Mainz GERMANY.，INTERNET spaniol＠goofy.zdv.Uni-Mainz.de，Atsushi Kubo : Division of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606 JAPAN.，INTERNETkubo＠spin.bun.kuchem.kyoto-u.ac.jp |
| 概 要 | These programs calculate the spinning sideband intensities of 2H magic-angle-spinning NMR spectra with both quadrupole and clemical shift interactions. The time evolution of the deuterium nuclear spin system during the irradiation of radio frequency pulses is treated exactly. The detailed discusion of the algorithm see T. P. Spaniol, A. Kubo, and T. Terao, "Deuterium Solid‐State NMR Spectroscopy of Paramagnetic Compounds: Separation of Paramagnetic and Quadrupole Interactions", ##, ###‐### (1996). 1PULSE.FOR:，normal 1 dimensional 2H MAS NMR spectrum recorded by a single pulse experiment. 2PULSE.FOR:，2 dimensional 2H MAS NMR spectrum recorded by a π/2-t1-π-t2experiment. 3PULSE.FOR:，2 dimensional 2H MAS NMR spectrum recorded by a π/2-t1-β1-τ-β2-t2 experiment. |
| 参考文献 | |
| 使用言語 | FORTRAN |
| プログラムの大きさ | |
| ハードウェア | MS-FORTRAN Ver.5.1, MS-DOS |
| プログラム性能上の制限 | |
| 製作責任者 | Thomas P. Spaniol : Johannes Gutenberg‐Univ. Mainz Istitut fur Anorg. und Anal. Chem. Johann-Joachim-Becher-Weg 24, D-55099 Mainz GERMANY.，INTERNET spaniol＠goofy.zdv.Uni-Mainz.de，Atsushi Kubo : Division of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606 JAPAN.，INTERNETkubo＠spin.bun.kuchem.kyoto-u.ac.jp |
| 媒 体 | Floppy disk |
| 頒布価格 | 無 料 |
| 付 記 |