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[求助]
很急��！求幫忙啊，翻譯文獻中的一些話��！
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| Nevirapine is an anti-human immunodeficiency virus (HIV) agent that belongs to the class of the non-nucleoside inhibitors of the HIV-1 virus reverse transcriptase. Spectral characteristics of nevirapine have been probed into by methods of Fourier transform infrared (FTIR), FT-Raman, UV-visible, and quantum chemistry. The UV spectrum was measured in methanol. In order to gain some valuable insight into the recorded spectrum, the quantum mechanical calculations were performed for nevirapine using both ZINDO and time-dependent density functional theory at B3LYP/6-31G(d,p) level. The optimized molecular geometry, bond orders, natural bond order analysis, and harmonic vibrational wavenumbers of nevirapine were calculated by restricted Hartree-Fock and density functional B3LYP methods with the 6-31G(d,p) basis set using Gaussian 03 W program. The harmonic vibrational frequencies calculated have been compared with experimental FTIR and FT-Raman spectra. The restricted Hartree-Fock and density functional theory-based nuclear magnetic resonance (NMR) calculation procedure was also performed, and it was used for assigning the 13C and 1H NMR chemical shifts of nevirapine. |
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大臉搞學(xué)術(shù)
銅蟲 (小有名氣)
- 翻譯EPI: 2
- 應(yīng)助: 10 (幼兒園)
- 金幣: 655.8
- 散金: 10
- 紅花: 31
- 帖子: 277
- 在線: 62小時
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- 注冊: 2014-01-20
- 專業(yè): 機器人學(xué)及機器人技術(shù)
【答案】應(yīng)助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★
l回憶(RXMCDM代發(fā)): 金幣+10, 多謝應(yīng)助！ 2015-09-02 23:32:44
l回憶(RXMCDM代發(fā)): 金幣+10, 多謝應(yīng)助！ 2015-09-02 23:32:44
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Nevirapine（應(yīng)該是一種藥物）是一種抗免疫缺陷病毒（HIV）的藥物，屬于抑制HIV-1逆轉(zhuǎn)錄的非核苷抑制劑。 Nevirapine的性質(zhì)譜圖可以用紅外傅立葉,FT拉曼，可見紫外線以及量子化學(xué)方法來探析（應(yīng)該是專業(yè)術(shù)語吧）。其UV譜可以用甲醇測量。為了對記錄的光譜進行深入有意義的分析，我們在B3LYP/6-31G(d,p) 級別同時用ZINDO和含時密度泛函理論來得到nevirapine的量子機械算法。我們使用限制的Hartree-Fock和密度方程 B3LYP得到nevirapine 的最優(yōu)分子幾何、紐帶層級（不確定）、自然紐帶叢集分析以及諧振動波數(shù)，其中 B3LYP方法使用 6-31G(d,p)基礎(chǔ)點并使用高斯03 W程序。計算得到的諧振東頻率與實驗得到的紅外譜和拉曼譜對照。文中同時給出了限制 Hartree-Fock和以密度函數(shù)理論為基礎(chǔ)的核磁共振的計算過程。文中所用方法可以用來研究nevirapine的13C and 1H NMR的化學(xué)偏移。 好多專業(yè)詞匯，無奈俺是學(xué)儀器的，專業(yè)俺不懂，你再看著改改吧~ |
2樓2015-04-09 14:44:30
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