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Data analytics in spectroscopy /
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Chemometrics : statistics and computer application in analytical chemistry /
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Understanding molecular simulation : from algorithms to applications /
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Fundamental chemistry with Matlab /
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Atomic-scale modelling of electrochemical systems /
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NIC Symposium 2022 : 29 - 30 September 2022, Jülich, Germany ; proceedings /
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Data science in chemistry : artificial intelligence, big data, chemometrics and quantum computing with Jupyter /
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Computational methods in organometallic catalysis : from elementary reactions to mechanisms /
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Lan, Yu
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Advanced reactor modeling with MATLAB : case studies with solved examples /
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Computational chemistry methods : applications /
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Maths in chemistry : numerical methods for physical and analytical chemistry /
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Chemical reactions : basic theory and computing /
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Applied chemoinformatics : achievements and future opportunities /
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Tensor numerical methods in quantum chemistry /
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Reactive transport modeling : applications in subsurface energy and environmental problems /
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Chemoinformatics : basic concepts and methods /
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Fundamentals of computational chemistry /
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Introduction to multivariate calibration : a practical approach /
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Applied theoretical organic chemistry /
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Mathematical processing of spectral data in analytical chemistry : a guide to error analysis /
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