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MONTE CARLO METHOD FOR THE AUTOMATED AND HIGHLY EFFICIENT CALCULATION OF KINETIC DATA OF CHEMICAL REACTIONS
MONTE CARLO METHOD FOR THE AUTOMATED AND HIGHLY EFFICIENT CALCULATION OF KINETIC DATA OF CHEMICAL REACTIONS
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机译:蒙特卡洛方法用于化学反应动力学数据的自动高效计算
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摘要
The present invention relates to a computer-implemented method for calculating transition states of a chemical reaction, and to a system for data processing comprising means for carrying out the method, to a computer program comprising instructions which cause a computer to execute the method and to the use of the computer program.
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