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Inorganic Chemistry|July 28, 2012
Theoretical investigation of paramagnetic NMR shifts in transition metal acetylacetonato complexes: analysis of signs, magnitudes, and the role of the covalency of ligand-metal bondingBen Pritchard, Jochen AutschbachJournal of Chemical Theory and Computation|November 19, 2015
Effects from spin-orbit coupling on electron-nucleus hyperfine coupling calculated at the restricted active space level for Kramers doubletsKamal Sharkas, Ben Pritchard, Jochen AutschbachJournal of Chemical Theory and Computation|November 25, 2015
Scalar Relativistic Computations and Localized Orbital Analyses of Nuclear Hyperfine Coupling and Paramagnetic NMR Chemical ShiftsFredy Aquino, Ben Pritchard, Jochen AutschbachJournal of Chemical Theory and Computation|November 26, 2015
Calculation of Hyperfine Tensors and Paramagnetic NMR Shifts Using the Relativistic Zeroth-Order Regular Approximation and Density Functional TheoryJochen Autschbach, Serguei Patchkovskii, Ben PritchardInorganic Chemistry|July 31, 2014
Magnetic resonance properties of actinyl carbonate complexes and plutonyl(VI)-tris-nitrateFrédéric Gendron, Ben Pritchard, Hélène Bolvin, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|May 23, 2014
Magnetic properties and electronic structure of neptunyl(VI) complexes: wavefunctions, orbitals, and crystal-field modelsFrédéric Gendron, Dayán Páez-Hernández, François-Paul Notter, et al.Journal of Computational Chemistry|November 13, 2015
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic tableFrancesco Aquilante, Jochen Autschbach, Rebecca K Carlson, et al.Pageof 1