Dipole–dipole interaction induced phases in hydrogen-bonded squaric acid crystal
نویسندگان
چکیده
منابع مشابه
Accurate interaction energies of hydrogen-bonded nucleic acid base pairs.
Hydrogen-bonded nucleic acids base pairs substantially contribute to the structure and stability of nucleic acids. The study presents reference ab initio structures and interaction energies of selected base pairs with binding energies ranging from -5 to -47 kcal/mol. The molecular structures are obtained using the RI-MP2 (resolution of identity MP2) method with extended cc-pVTZ basis set of ato...
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Hydrogen-bonding interactions often make substantial contributions to the specificity of protein-nucleic acid complexes. Using a geometric modeling approach, we previously identified 28 possible doubly hydrogen-bonded interactions to the four unpaired RNA bases. Here we present interaction energies of these models, calculated by ab initio quantum chemical methods, and describe a correlation bet...
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The title compound [systematic name: benzoic acid-pyrrolidin-1-ium-2-carboxyl-ate (1/1)], C7H6O2·C5H9NO2, is an example of the application of non-centrosymmetric co-crystallization for the growth of a crystal containing a typically centrosymmetric component in a chiral space group. It co-crystallizes in the space group P212121 and contains benzoic acid and l-proline in equal proportions. The cr...
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In this study, we synthesized three analogous bent-core molecules, a hydrogen-bonded complex and a covalent-bonded compound with branched siloxane units (H-SiO and C-SiO, respectively) and a hydrogen-bonded complex with an alkyl unit (H-Alk), and investigated the effects of the hydrogen bonding and branched siloxane terminal units on their mesomorphic properties. The covalent-bonded compound C-...
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ژورنال
عنوان ژورنال: Journal of Physics: Condensed Matter
سال: 2020
ISSN: 0953-8984,1361-648X
DOI: 10.1088/1361-648x/ab7ba1