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UnknownCrystal Structure of BaCa(CO3)2 Alstonite Carbonate and Its Phase Stability upon Compression.
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S-EPMC8656406 | biostudies-literature
UnknownPEPCONF, a diverse data set of peptide conformational energies.
Not available
S-EPMC6343515 | biostudies-literature
UnknownBSE49, a diverse, high-quality benchmark dataset of separation energies of chemical bonds.
Not available
S-EPMC8611007 | biostudies-literature
UnknownSolving Static and Dynamic Disorder in Cu<sub>4</sub>TiTe<sub>4</sub>: Crystal Structure and Thermodynamic Properties.
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S-EPMC12571381 | biostudies-literature
Unknown4-[(1-Benzyl-1H-1,2,3-triazol-4-yl)meth-oxy]benzene-1,2-dicarbo-nitrile: crystal structure, Hirshfeld surface analysis and energy-minimization calculations.
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S-EPMC4910342 | biostudies-literature
UnknownXDM-corrected hybrid DFT with numerical atomic orbitals predicts molecular crystal lattice energies with unprecedented accuracy.
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S-EPMC9891363 | biostudies-literature
UnknownAssessment of the exchange-hole dipole moment dispersion correction for the energy ranking stage of the seventh crystal structure prediction blind test.
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S-EPMC11789164 | biostudies-literature
UnknownPressure-induced spin transition and site-selective metallization in CoCl2.
Not available
S-EPMC6443712 | biostudies-literature
UnknownExperimental Observation of a Calcium Silicon Double Carbonate.
Not available
S-EPMC12929942 | biostudies-literature
UnknownPolymorphism and Phase Stability of Hydrated Magnesium Carbonate Nesquehonite MgCO<sub>3</sub>·3H<sub>2</sub>O: Negative Axial Compressibility and Thermal Expansion in a Cementitious Material.
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S-EPMC10854074 | biostudies-literature
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