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TURBOMOLE 化學計算軟體​​

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TURBOMOLE is a powerful general purpose quantum chemistry program package featuring state-of-the-art electronic structure methods. It covers a wide range of research areas from both academia and industry. Incorporating more than 25 years of development, TURBOMOLE has become a standard package and a valuable tool for chemists, physicists and engineers worldwide.

For researchers worldwide, quantum chemical calculations are indispensable. With TURBOMOLE we offer a powerful, general purpose Quantum Chemistry (QC) program package for ab initio electronic structure calculations.

TURBOMOLE can help you to optimize and deliver the best catalysts for chemical reactions, understand and improve organic light emitting diodes (OLEDs) or predict spectra as a general aid to compound synthesis and analytical tasks. It allows accurate prediction of properties such as conformational energies, cluster structures, excited states, transition states and dipoles which you can use in a broad variety of applications.

 

TURBOMOLE 是一個功能強大的通用量子化學軟體,配備先進設備並有最先進的電子結構。它涵蓋範圍廣泛,TURBOMOLE 是成為標準的封裝,是化學家、全世界物理學家和工程師的重要工具。

對於世界各地的研究,量子化學計算是不可缺少的。隨著 TURBOMOLE 我們提供了一個強大的,通用的量子化學 (QC) 計劃。

TURBOMOLE 可以幫助您優化並提供最佳催化的化學反應,提高有機發光二極管 (OLED) 或預測光譜作為一般援助化合物合成和分析。它允許構象能量、團簇結構、激發態、過渡態以及各種各樣的偶極特性做準確預測。​

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