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Journal of Chemical Theory and Computation|May 28, 2020
General Approach for Reducing Continuous Translational Symmetry Errors in Finite Difference Real-Space CalculationsTian Qiu, Leeor Kronik, Andrew M RappeAccounts of Chemical Research|February 16, 2016
Hybrid Organic-Inorganic Perovskites on the MoveDavid A Egger, Andrew M Rappe, Leeor KronikAngewandte Chemie (International Ed. in English)|June 16, 2015
Theory of hydrogen migration in organic-inorganic halide perovskitesDavid A Egger, Leeor Kronik, Andrew M RappeThe Journal of Chemical Physics|August 20, 2024
Improving the precision of forces in real-space pseudopotential density functional theoryDeena Roller, Andrew M Rappe, Leeor Kronik, et al.Journal of Chemical Theory and Computation|June 29, 2023
Finite Difference Interpolation for Reduction of Grid-Related Errors in Real-Space Pseudopotential Density Functional TheoryDeena Roller, Andrew M Rappe, Leeor Kronik, et al.The Journal of Physical Chemistry Letters|July 19, 2019
Breakdown of the Static Picture of Defect Energetics in Halide Perovskites: The Case of the Br Vacancy in CsPbBr<sub>3</sub>Ayala V Cohen, David A Egger, Andrew M Rappe, et al.Angewandte Chemie (International Ed. in English)|September 17, 2015
Unusually Large Young's Moduli of Amino Acid Molecular CrystalsIdo Azuri, Elena Meirzadeh, David Ehre, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|October 7, 2017
Spin-State Energetics of Fe Complexes from an Optimally Tuned Range-Separated Hybrid FunctionalGeorgia Prokopiou, Leeor KronikPhysical Chemistry Chemical Physics : PCCP|July 15, 2020
Piecewise linearity, freedom from self-interaction, and a Coulomb asymptotic potential: three related yet inequivalent properties of the exact density functionalLeeor Kronik, Stephan KümmelTopics in Current Chemistry|April 25, 2014
Gas-phase valence-electron photoemission spectroscopy using density functional theoryLeeor Kronik, Stephan KümmelPageof 28