## Abstract In our attempts to achieve a detailed understanding of proteinโsilica interactions at an atomic level we have, as a first step, simulated a small system consisting of one alanine in different protonation states, and a hydroxylated silica surface, using a firstโprinciples molecularโdynam
โฆ LIBER โฆ
Infrared spectra of hydrogenated nanodiamonds by first-principles simulations
โ Scribed by Chunqiang Zhuang; Xue Jiang; Jijun Zhao; Bin Wen; Xin Jiang
- Publisher
- Elsevier Science
- Year
- 2009
- Tongue
- English
- Weight
- 365 KB
- Volume
- 41
- Category
- Article
- ISSN
- 1386-9477
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