Search Results - "Guillaumes, L."

Dealing with Quasi-Ring Formation by Two Hydrogen Bonds. Cooperativity Analysis with Delocalization Indices by Guillaumes, L, Simon, S

“…The quasi-ring formation between monomers structurally similar to DNA base pairs which interact with more than one hydrogen bond may show an extra…”
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A Fuzzy-Atom Analysis of Electron Delocalization on Hydrogen Bonds by Guillaumes, L, Salvador, P, Simon, S

“…The extent of electron delocalization is quantified for set of cyclic complexes exhibiting two or more hydrogen bonds (HBs). In particular, the delocalization…”
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The Role of Aromaticity, Hybridization, Electrostatics, and Covalency in Resonance‐Assisted Hydrogen Bonds of Adenine–Thymine (AT) Base Pairs and Their Mimics by Guillaumes, L., Simon, S., Fonseca Guerra, C.

“…Hydrogen bonds play a crucial role in many biochemical processes and in supramolecular chemistry. In this study, we show quantum chemically that neither…”
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Cover Picture: The Role of Aromaticity, Hybridization, Electrostatics, and Covalency in Resonance‐Assisted Hydrogen Bonds of Adenine–Thymine (AT) Base Pairs and Their Mimics (ChemistryOpen 3/2015) by Guillaumes, L., Simon, S., Fonseca Guerra, C.

“…The cover picture shows hydrogen bonds in the adenine–thymine (AT) Watson–Crick base pair. An essential part of these H‐bonds is their covalent component that…”
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Delocalization indices for non-covalent interaction: Hydrogen and DiHydrogen bond by Hugas, D., Guillaumes, L., Duran, M., Simon, S.

“…[Display omitted] ► Delocalization Indices have been tested as a hydrogen bond descriptor. ► Correlation between structural, energetic and topological indices…”
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