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This book about first-principles-based multiscale, multiparadigm molecular mechanics and dynamics methods for describing complex chemical processes, dynamic QM/MM : a hybrid approach to simulating gas–liquid interactions, multiscale modelling in computational heterogeneous catalysis, real-world predictions from Ab initio molecular dynamics simulations, nanoscale wetting under electric field from molecular simulations, molecular simulations...
Berlin: Springer, 2012
e20405940
eBooks Universitas Indonesia Library
