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Journal of the American Chemical Society|July 4, 2002
The elusive oxidant species of cytochrome P450 enzymes: characterization by combined quantum mechanical/molecular mechanical (QM/MM) calculationsJan C Schöneboom, Hai Lin, Nathalie Reuter, et al.Chemical Communications (Cambridge, England)|January 19, 2012
Nonheme iron-oxo and -superoxo reactivities: O2 binding and spin inversion probability matterKyung-Bin Cho, Hui Chen, Deepa Janardanan, et al.Chemical Communications (Cambridge, England)|August 30, 2019
Unusual rearrangement of modified PNP ligand based Ru complexes relevant to alcohol dehydrogenation catalysisShubham Deolka, Naziha Tarannam, Robert R Fayzullin, et al.The Journal of Organic Chemistry|June 28, 2021
Chalcogen vs Halogen Bonding Catalysis in a Water-Bridge-Cocatalyzed Nitro-Michael ReactionNaziha Tarannam, Martin H H Voelkel, Stefan M Huber, et al.Chemical Science|September 23, 2017
Single-chain polybutadiene organometallic nanoparticles: an experimental and theoretical studyInbal Berkovich, Sudheendran Mavila, Olga Iliashevsky, et al.The Journal of Physical Chemistry. A|February 6, 2013
The melatonin conformer space: benchmark and assessment of wave function and DFT methods for a paradigmatic biological and pharmacological moleculeUma R Fogueri, Sebastian Kozuch, Amir Karton, et al.Physical Chemistry Chemical Physics : PCCP|March 8, 2016
The S66x8 benchmark for noncovalent interactions revisited: explicitly correlated ab initio methods and density functional theoryBrina Brauer, Manoj K Kesharwani, Sebastian Kozuch, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|August 22, 2009
Enhanced reactivities of iron(IV)-oxo porphyrin pi-cation radicals in oxygenation reactions by electron-donating axial ligandsYaeun Kang, Hui Chen, Yu Jin Jeong, et al.Journal of the American Chemical Society|June 1, 2016
Electronic Origins of the Variable Efficiency of Room-Temperature Methane Activation by Homo- and Heteronuclear Cluster Oxide Cations [XYO2](+) (X, Y = Al, Si, Mg): Competition between Proton-Coupled Electron Transfer and Hydrogen-Atom TransferJilai Li, Shaodong Zhou, Jun Zhang, et al.Journal of the American Chemical Society|August 21, 2023
Electro-Freezing of Supercooled Water Is Induced by Hydrated Al3+ and Mg2+ Ions: Experimental and Theoretical StudiesLeah Fuhrman Javitt, Surajit Kalita, Kshatresh Dutta Dubey, et al.Pageof 34