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The Journal of Chemical Physics|May 6, 2006
On the electron leak problem in orbital-free embedding calculationsMarcin Dułak, Tomasz A WesołowskiJournal of Chemical Theory and Computation|December 3, 2015
Nonlinearity of the Bifunctional of the Nonadditive Kinetic Energy: Numerical Consequences in Orbital-Free Embedding CalculationsMarcin Dułak, Tomasz A WesołowskiJournal of Molecular Modeling|March 14, 2007
Interaction energies in non-covalently bound intermolecular complexes derived using the subsystem formulation of density functional theoryMarcin Dułak, Tomasz A WesołowskiJournal of Chemical Theory and Computation|December 3, 2015
Equilibrium Geometries of Noncovalently Bound Intermolecular Complexes Derived from Subsystem Formulation of Density Functional TheoryMarcin Dułak, Jakub W Kamiński, Tomasz A WesołowskiSpectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|January 3, 2006
Water trapped in dibenzo-18-crown-6: theoretical and spectroscopic (IR, Raman) studiesMarcin Dułak, Rémi Bergougnant, Katharina M Fromm, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 22, 2017
The atomic simulation environment-a Python library for working with atomsAsk Hjorth Larsen, Jens Jørgen Mortensen, Jakob Blomqvist, et al.Science (New York, N.Y.)|March 26, 2016
Reproducibility in density functional theory calculations of solidsKurt Lejaeghere, Gustav Bihlmayer, Torbjörn Björkman, et al.Pageof 1