作者: Miguel A. Esteruelas , Carmen Larramona , Enrique Oñate
DOI: 10.1021/OM400041M
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摘要: Financial support from the Spanish MICINN (Projects CTQ2011-23459 and Consolider Ingenio 2010 (CSD2007-00006)), DGA (E35), European Social Fund (FSE) is acknowledged. We thank Centro de Supercomputacion Galicia (CESGA) for generous allocation of computational resources.