Results 11 to 20 of about 2,976,941 (240)

Noncovalent Interactions in the Catechol Dimer [PDF]

open access: yesBiomimetics, 2017
Noncovalent interactions play a significant role in a wide variety of biological processes and bio-inspired species. It is, therefore, important to have at hand suitable computational methods for their investigation.
Vincenzo Barone   +3 more
doaj   +5 more sources

Editorial to the Special Issue “Gulliver in the Country of Lilliput: An Interplay of Noncovalent Interactions”

open access: yesMolecules, 2020
Noncovalent interactions allow our world to exist [...]
Ilya G. Shenderovich
doaj   +2 more sources

Editorial to the Special Issue “Gulliver in the Country of Lilliput: An Interplay of Noncovalent Interactions (Volume II)”

open access: yesMolecules
Noncovalent interactions are the bridge between the ideal gas abstraction and the real world [...]
Ilya G. Shenderovich
doaj   +2 more sources

Noncovalent Interactions in Crystals

open access: yes, 2012
Noncovalent Interactions in Crystals (P. Gilli and G. Gilli); in: Supramolecular Chemistry: from Molecules to Nanomaterials (J.W. Steed and P.A. Gale eds.) - Volume 6: Supramolecular Materials Chemistry ABSTRACT: The over 500 000 structures collected in current crystallographic databases represent the greatest archive of noncovalent molecular ...
GILLI, Paola, GILLI, Gastone
openaire   +3 more sources

Beyond Conformational Control: Effects of Noncovalent Interactions on Molecular Electronic Properties of Conjugated Polymers [PDF]

open access: yes, 2021
Tuning the electronic properties of polymers is of great importance in designing highly efficient organic solar cells. Noncovalent intramolecular interactions have been often used for conformational control to enhance the planarity of polymers or ...
Liu, Bin   +11 more
core   +2 more sources

Towards a Density-Based Description of Chemical Bonds and Noncovalent Interactions with Pauli Energy [PDF]

open access: yes, 2022
Chemical bonds and noncovalent interactions are extraordinarily important concepts in chemistry and beyond. Using density-based quantities to describe them has a long history in the literature, yet none can satisfactorily describe the entire spectrum of ...
Bin, Wang   +6 more
core   +1 more source

Visualizing the entire range of noncovalent interactions in nanocrystalline hybrid material using 3D electron diffraction [PDF]

open access: yes, 2022
Noncovalent interactions are essential in the formation and function of a diverse range of hybrid materials. However, reliably identifying the noncovalent interactions in nanocrystalline materials remains challenging using conventional methods such as X ...
Yi, Luo   +5 more
core   +2 more sources

Erythronium Bonds: Noncovalent Interactions Involving Group 5 Elements as Electron Density Acceptors [PDF]

open access: yes, 2023
Analyses of the Cambridge Structural Database and theoretical calculations (PBE0-D3/def2-TZVP level, atoms-in-molecules, natural bond orbital studies) prove the formation of net attractive noncovalent interactions between group 5 elements and electron ...
Giuseppe, Resnati   +4 more
core   +2 more sources

Probing Noncovalent Interactions in [3,3]Metaparacyclophanes

open access: yesThe Journal of Organic Chemistry, 2022
Arene-arene interactions are fundamentally important in molecular recognition. To precisely probe arene-arene interactions in cyclophanes, we designed and synthesized (2,6-phenol)paracyclophanes and (2,6-aniline)paracyclophanes that possess two aromatic rings in close proximity.
Jie Jian   +6 more
openaire   +5 more sources

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