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Relativistic DFT Calculations of 1JWH and 1JWC Provide Detailed Structural Insight of Cyclopentadienyl Binding in Cp2WH2.
Mobley TA. Mobley TA. J Phys Chem A. 2020 Feb 6;124(5):966-975. doi: 10.1021/acs.jpca.9b11540. Epub 2020 Jan 22. J Phys Chem A. 2020. PMID: 31922415
One difference between the various functionals is the Cp-W distance, and d(CpW) is linearly correlated to the calculated values for both (1)J(WH) and (1)J(WC). ...
One difference between the various functionals is the Cp-W distance, and d(CpW) is linearly correlated to the calculated values for b …
Gas phase hydrogen/deuterium exchange of arginine and arginine dipeptides complexed with alkali metals.
Mertens LA, Marzluff EM. Mertens LA, et al. J Phys Chem A. 2011 Aug 25;115(33):9180-7. doi: 10.1021/jp204896z. Epub 2011 Aug 1. J Phys Chem A. 2011. PMID: 21755980
The hydrogen/deuterium (H/D) exchange of protonated and alkali-metal cationized Arg-Gly and Gly-Arg peptides with D(2)O in the gas phase was studied using electrospray ionization quadropole ion trap mass spectrometry. ...We propose a mechanism where the peptide shif …
The hydrogen/deuterium (H/D) exchange of protonated and alkali-metal cationized Arg-Gly and Gly-Arg peptides with D(2)O in the …