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ACS Omega • Vol 8 • No 22
Retention Database for Prediction, Simulation, and Optimization of GC Separations
2023
This work presents an open source database with suitable retention parameters for prediction and simulation of GC separations and gives a short introduction to three common retention models. Useful computer simulations play an important role to save resources…
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Computer Science

Study of computation

Computer science is the study of computation, information, and automation. Computer science spans theoretical disciplines (such as algorithms, theory of computation, and information theory) to applied disciplines (including the design and implementation of hardware and software).

Algorithms and data structures are central to computer science. The theory of computation concerns abstract models of computation and general classes of problems that can be solved using them. The fields of cryptography and computer security involve studying the means for secure communication and preventing security vulnerabilities. Computer graphics and computational geometry address the generation of images.

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ACS Omega • Vol 8 • No 22
Retention Database for Prediction, Simulation, and Optimization of GC Separations
2023
This work presents an open source database with suitable retention parameters for prediction and simulation of GC separations and gives a short introduction to three common retention models. Useful computer simulations play an important role to save resources and time in method development in GC. Thermodynamic retention parameters for the ABC model and the <i>K</i>-centric model are determined by isothermal measurements. This standardized procedure of measurements and calculations, presented in this work, have a u…
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