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Interacting Quantum Atoms Analysis of Covalent and Collective Interactions in Single Elongated Carbon-Carbon Bonds. [PDF]

open access: yesMolecules
Bonesana-Espinoza A   +4 more
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Non-covalent interactions in biomacromolecules

Physical Chemistry Chemical Physics, 2007
Non-covalent interactions play an important role in chemistry, physics and especially in biodisciplines. They determine the structure of biomacromolecules such as DNA and proteins and are responsible for the molecular recognition process. Theoretical evaluation of interaction energies is difficult; however, perturbation as well as variation ...
Jirí, Cerný, Pavel, Hobza
openaire   +2 more sources

Covalent interactions in oxides

Journal of Electron Spectroscopy and Related Phenomena, 2014
Abstract The covalent character of ionic metal compounds, in particular oxides, may lead to substantial departures from nominal oxidation states. Since this covalent character changes the effective charge of the cation, it contributes to the chemical and physical properties of these compounds.
Paul S. Bagus, Connie J. Nelin
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Studying non-covalent drug–DNA interactions

Archives of Biochemistry and Biophysics, 2015
Drug-DNA interactions have been extensively studied in the recent past. Various techniques have been employed to decipher these interactions. DNA is a major target for a wide range of drugs that may specifically or non-specifically interact with DNA and affect its functions.
Sayeed Ur, Rehman   +4 more
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