Modeling the Effect of Defects and Disorder in Amorphous Metal–Organic Frameworks
Chemistry of Materials American Chemical Society (ACS) 34:20 (2022) 9042-9054
Magnetotransport of single crystal Sm$_2$Ir$_2$O$_7$ across the pressure-induced quantum-critical phase boundary
(2022)
Semi‐analytic theory of multiphonon effects on the static structure factors of warm solids
Acta Crystallographica Section A: Foundations and advances International Union of Crystallography (IUCr) 78:5 (2022) 415-421
An N⋯H⋯N low-barrier hydrogen bond preorganizes the catalytic site of aspartate aminotransferase to facilitate the second half-reaction
Chemical Science Royal Society of Chemistry 13:34 (2022) 10057-10065
Abstract:
and catalytic Lys258 Nζ amino groups an equally shared deuterium is observed in an apparent low-barrier hydrogen bond (LBHB). Density functional theory calculations were performed to provide further evidence of this LBHB interaction. The structural arrangement and the juxtaposition of PMP and Lys258, facilitated by the LBHB, suggests active site preorganization for the incoming ketoacid substrate that initiates the second half-reaction.Quantum critical spin-liquid-like behavior in the S=12 quasikagome-lattice compound CeRh1−xPdxSn investigated using muon spin relaxation and neutron scattering
Physical Review B American Physical Society (APS) 106:6 (2022) 064436