42 research outputs found
Application of the PM6 method to modeling the solid state
Get PDFThe applicability of the recently developed PM6 method for modeling various properties of a wide range of organic and inorganic crystalline solids has been investigated. Although the geometries of most systems examined were reproduced with good accuracy, severe errors were found in the predicted structures of a small number of solids. The origin of these errors was investigated, and a strategy for improving the method proposed
Sustained Local Delivery of Structurally Diverse HIV-1 Microbicides Released from Sublimation Enthalpy Controlled Matrices
Full text linkStandard molar enthalpies and entropies of vaporization for twolow-melting trichlorophenoxy herbicides
No full textDetermination of the Enthalpies of Vaporization of Cyclic Organic Peroxides by Correlation of Changes in Gas Chromatographic Retention Times
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Thermodynamic investigations of sublimation, solubility and solvation of [4-(benzyloxy)-phenyl]acetic acid
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Benchmarking thermochemical experiments and calculations of nitrogen-containing substituted adamantanes
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