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Physical Chemistry Chemical Physics : PCCP|March 2, 2018
The kinetics and mechanism of oxidation of reduced phosphovanadomolybdates by molecular oxygen: theory and experiment in concertAlexander M Khenkin, Irena Efremenko, Jan M L Martin, et al.Journal of Chemical Theory and Computation|February 26, 2025
Another Angle on Benchmarking Noncovalent InteractionsVladimir Fishman, Michał Lesiuk, Jan M L Martin, et al.The Journal of Chemical Physics|June 10, 2016
Toward a W4-F12 approach: Can explicitly correlated and orbital-based ab initio CCSD(T) limits be reconciled?Nitai Sylvetsky, Kirk A Peterson, Amir Karton, et al.Journal of the American Chemical Society|December 10, 2013
Polyoxometalate-catalyzed insertion of oxygen from O(2) into tin-alkyl bondsAlexander M Khenkin, Irena Efremenko, Jan M L Martin, et al.The Journal of Physical Chemistry. A|December 18, 2007
Double-hybrid functionals for thermochemical kineticsAlex Tarnopolsky, Amir Karton, Rotem Sertchook, et al.Journal of the American Chemical Society|September 18, 2003
Cycloaddition reactions of metalloaromatic complexes of iridium and rhodium: a mechanistic DFT investigationMark A Iron, Jan M L Martin, Milko E van der BoomPhysical Chemistry Chemical Physics : PCCP|October 18, 2022
S66x8 noncovalent interactions revisited: new benchmark and performance of composite localized coupled-cluster methodsGolokesh Santra, Emmanouil Semidalas, Nisha Mehta, et al.Journal of the American Chemical Society|June 13, 2002
TpPtMe(H)(2): why is there H/D scrambling of the methyl group but not methane loss?Mark A Iron, H Christine Lo, Jan M L Martin, et al.Journal of the American Chemical Society|October 23, 2003
Metallabenzene versus Cp complex formation: a DFT investigationMark A Iron, Jan M L Martin, Milko E van der BoomChemistry (Weinheim an Der Bergstrasse, Germany)|January 20, 2007
Proton walk in the aqueous platinum complex [TpPtMeCO] via a sticky sigma-methane ligandH Christine Lo, Mark A Iron, Jan M L Martin, et al.Pageof 18