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title = {{Quantum Chemical Modeling of the Dehalogenation Reaction of Haloalcohol Dehalogenase}},  journal = {J. Chem. Theory Comput.},  }  @article{Liao_2011,  doi = {10.1021/ct200031t},  url = {http://dx.doi.org/10.1021/ct200031t},  year = {2011},  month = {may},  publisher = {American Chemical Society ({ACS})},  volume = {7},  number = {5},  pages = {1494--1501},  author = {Rong-Zhen Liao and Jian-Guo Yu and Fahmi Himo},  title = {{Quantum Chemical Modeling of Enzymatic Reactions: The Case of Decarboxylation}},  journal = {J. Chem. Theory Comput.},  }