Article-Journal

Mechanism of cheletropic reactions of 1,3-dienes with sulfur dioxide
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Theoretical analysis of the decomposition of episulfones
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Thermodynamical properties of solids from microscopic theory: applications to MgF 2 and Al 2 O 3
A COMPARATIVE-ANALYSIS OF THE MECHANISMS OF CHELETROPIC AND DIELS-ALDER REACTIONS OF 1,3-DIENES WITH SULFUR-DIOXIDE - KINETIC AND THERMODYNAMIC CONTROLS
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Derivation of electron-gas interatomic potentials from quantum-mechanical descriptions of ions in crystals
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Effects of a quantum crystal potential on the derivation of electron gas interionic energies
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Energetics of the RbF+CaF2->RbCaF3 solid state reaction: A first-principles study
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HETERO-DIELS-ALDER ADDITIONS OF SULFUR-DIOXIDE TO 1,3-DIENES - A PROPOSAL FOR A NEW REACTIVE DIENE FROM AB-INITIO CALCULATIONS
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INFERENCE OF CRYSTAL PROPERTIES FROM CLUSTER MAGNITUDES
Using ab initio pairwise potentials, we have minimized the total energy of cubelike neutral clusters of NaCl containing from eight up …
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Modeling the O 2 − - O 2 − interaction for atomistic simulations
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