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Nature Structural Biology|January 14, 2003
Active site electronic structure and dynamics during metalloenzyme catalysisOded Kleifeld, Anatoly Frenkel, Jan M L Martin, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|May 8, 2010
Borane-lewis base complexes as homolytic hydrogen atom donorsJohnny Hioe, Amir Karton, Jan M L Martin, et al.The Journal of Physical Chemistry. A|May 22, 2026
Toward an Affordable Density-Based Measure for the Quality of a Coupled Cluster CalculationGregory H Jones, Kaila E Weflen, Jan M L MartinJournal of the American Chemical Society|October 1, 2010
DFT study of the structure and reactivity of the terminal Pt(IV)-oxo complex bearing no electron-withdrawing ligandsIrena Efremenko, Elena Poverenov, Jan M L Martin, et al.Physical Chemistry Chemical Physics : PCCP|February 14, 2013
Accurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with cautionLars Goerigk, Amir Karton, Jan M L Martin, et al.Chemical Communications (Cambridge, England)|February 15, 2022
A bilayer coating as an oxygen-transfer cascade for the electrochemical ambient conversion of methane to oxygenatesYanir Kadosh, Yeshayahu Ben-Eliyahu, Yair Bochlin, et al.Dalton Transactions (Cambridge, England : 2003)|August 8, 2009
A DFT study on the mechanism of a novel, regioselective, intramolecular N-pi rearrangement of cis and trans-eta1-N-Cp*Rh-hydroxytamoxifen complexes to their eta6 derivatives; potential breast cancer pharmaceuticals, and fluorescent probesIrena Efremenko, Siden Top, Jan M L Martin, et al.Journal of Computational Chemistry|May 5, 2009
Can DFT methods correctly and efficiently predict the coordination number of copper(I) complexes? A case studyTamar Ansbacher, Hemant Kumar Srivastava, Jan M L Martin, et al.Journal of Chemical Theory and Computation|May 23, 2017
Conventional and Explicitly Correlated ab Initio Benchmark Study on Water Clusters: Revision of the BEGDB and WATER27 Data SetsDebashree Manna, Manoj K Kesharwani, Nitai Sylvetsky, et al.The Journal of Physical Chemistry. A|February 2, 2018
The X40×10 Halogen Bonding Benchmark Revisited: Surprising Importance of (n-1)d Subvalence CorrelationManoj K Kesharwani, Debashree Manna, Nitai Sylvetsky, et al.Pageof 18