Article-Journal

Ab initio study of the H-2 elimination from CH2OH+, CH2NH2+, and CH2SH+
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Ions in crystals: The topology of the electron density in ionic materials .1. Fundamentals
Ions in crystals: The topology of the electron density in ionic materials. I. Fundamentals
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Ions in crystals: The topology of the electron density in ionic materials. II. The cubic alkali halide perovskites
Structural and chemical stability of halide perovskites
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Theoretical study of the zwittazido cleavage of 4-azido-2-pyrrolinones: The role of solvent and substituents
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Universal-binding-energy relations across the rock-salt–cesium chloride phase transition in alkali halides
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Ab initio study of the effect of CH ⋯ O hydrogen bonding on the exo/ endo stereoselectivity of Diels-Alder reactions of 2-substituted-1,3-dienes with sulfur dioxide
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Anomeric effect in 1,3-dioxole: A theoretical study
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Atomistic simulation of the pressure-temperature-volume diagram in α-Al2O3
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