Computers as Research Tools in Catalysis

Computer simulations are very much like experiments. Unless they are trivially simple, you cannot predict their results just from looking at the code. Moreover, if they are planned badly, or if they are programmed badly, they may either crash or yield meaningless numbers (the computer equivalent of brown goo). Just like 

Catalysis Concepts and Green Applications. Gadi Rothenberg Copyright 2008 WILEY-VCH Verlag GmbH Co. KGaA, Weinheim ISBN 978-3-527-31824-7 

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