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最新版 ADF 2007

專門作密度泛函計算的軟體。ADF基於密度泛函理論(DFT)，主要應用於量子化學計算。廣泛應用於醫藥化學，材料學等研究及應用領域。特別應用於同類和異類催化，無機化學，重元素化學，生物化學及多種光譜學。包括分子ADF程式，週期結構程式BAND（專門用於計算週期性體系（晶體，聚合物等））和圖形用戶介面程式ADF-GUI可以在圖形介面下創建ADF計算任務和圖形顯示結果。

The Amsterdam Density Functional (ADF) package is software for first-principles electronic structure calculations.

ADF is used by academic and industrial researchers in such diverse fields as pharmacochemistry and materials science. It is particularly popular in the research areas of homogeneous and heterogeneous catalysis, inorganic chemistry, heavy element chemistry, various types of spectroscopy, and biochemistry.

Key Benefits of ADF

• Spectroscopic properties and environments for any type of molecule

• Excels in transition and heavy metal compounds

• Accurate, robust, and fast

• Expert staff and active community

• Uses Slater functions, beats Gaussians!