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Daan Geerke - Publications

Affiliations: 
2000-2002 Chemistry Vrije Universiteit Amsterdam, Amsterdam, Netherlands 
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5 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Hansen T, Sun X, Tiezza MD, van Zeist WJ, van Stralen JNP, Geerke DP, Wolters LP, Poater J, Hamlin TA, Bickelhaupt FM. C-X Bond Activation by Palladium:  Steric Shielding versus Steric Attraction. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 35420229 DOI: 10.1002/chem.202201093  0.306
2012 de Beer SB, van Bergen LA, Keijzer K, Rea V, Venkataraman H, Guerra CF, Bickelhaupt FM, Vermeulen NP, Commandeur JN, Geerke DP. The role of protein plasticity in computational rationalization studies on regioselectivity in testosterone hydroxylation by cytochrome P450 BM3 mutants. Current Drug Metabolism. 13: 155-66. PMID 22208530 DOI: 10.2174/138920012798918471  0.474
2005 De Jong GT, Geerke DP, Diefenbach A, Solà M, Bickelhaupt FM. Oxidative addition of the ethane C-C bond to Pd. An ab initio benchmark and DFT validation study. Journal of Computational Chemistry. 26: 1006-20. PMID 15880815 DOI: 10.1002/Jcc.20233  0.711
2005 De Jong GT, Geerke DP, Diefenbach A, Bickelhaupt FM. DFT benchmark study for the oxidative addition of CH4 to Pd. Performance of various density functionals Chemical Physics. 313: 261-270. DOI: 10.1016/J.Chemphys.2005.01.017  0.628
2005 De Jong GT, Geerke DP, Diefenbach A, Solà M, Bickelhaupt FM. Oxidative addition of the ethane C-C bond to Pd. An ab initio benchmark and DFT validation study Journal of Computational Chemistry. 26: 1006-1020. DOI: 10.1002/jcc.20233  0.725
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