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Ab initio transition state searching in complex systems: fatty acid decarboxylation in minerals.
J Phys Chem A. 2011 Mar 31;115(12):2658-67. doi: 10.1021/jp200106x. Epub 2011 Mar 4.
J Phys Chem A. 2011.
PMID: 21375311
Role of clay minerals in oil-forming reactions.
Geatches DL, Clark SJ, Greenwell HC.
Geatches DL, et al.
J Phys Chem A. 2010 Mar 18;114(10):3569-75. doi: 10.1021/jp9096869.
J Phys Chem A. 2010.
PMID: 20155955
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