The nature of hydrogen bonds: A delineation of the role of different energy components on hydrogen bond strengths and lengths

SCC Van der Lubbe… - Chemistry–An Asian …, 2019 - Wiley Online Library
Hydrogen bonds are a complex interplay between different energy components, and their
nature is still subject of an ongoing debate. In this minireview, we therefore provide an …

Binding mechanisms in supramolecular complexes

HJ Schneider - Angewandte Chemie International Edition, 2009 - Wiley Online Library
Forces to reckon with: Supramolecular complexes, such as the one shown, are normally
based on a combination of different interactions such as ion pairing, hydrogen bonds, and …

Hydrogen bond design principles

LJ Karas, CH Wu, R Das, JIC Wu - Wiley Interdisciplinary …, 2020 - Wiley Online Library
Hydrogen bonding principles are at the core of supramolecular design. This overview
features a discussion relating molecular structure to hydrogen bond strengths, highlighting …

Towards Supramolecular Engineering of Functional Nanomaterials: Pre‐Programming Multi‐Component 2D Self‐Assembly at Solid‐Liquid Interfaces

A Ciesielski, CA Palma, M Bonini… - Advanced …, 2010 - Wiley Online Library
Supramolecular engineering comprises the design, synthesis and self-assembly of well-
defined molecular modules into tailormade architectures. The incorporation of functional …

[图书][B] Macromolecular engineering

K Matyjaszewski, Y Gnanou, L Leibler - 2011 - Wiley Online Library
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Ab Initio Study of the Complexes of Halogen‐Containing Molecules RX (X=Cl, Br, and I) and NH3: Towards Understanding the Nature of Halogen Bonding and the …

JW Zou, YJ Jiang, M Guo, GX Hu… - … A European Journal, 2005 - Wiley Online Library
Ab initio calculations have been performed on a series of complexes formed between
halogen‐containing molecules and ammonia to gain a deeper insight into the nature of …

Concentration-dependent supramolecular engineering of hydrogen-bonded nanostructures at surfaces: predicting self-assembly in 2D

A Ciesielski, PJ Szabelski, W Rzysko… - Journal of the …, 2013 - ACS Publications
We report a joint computational and experimental study on the concentration-dependent self-
assembly of a flat C 3-symmetric molecule at surfaces. As a model system we have chosen a …

How to improve guanidinium cations for oxoanion binding in aqueous solution?: The design of artificial peptide receptors

C Schmuck - Coordination Chemistry Reviews, 2006 - Elsevier
Guanidinium cations are a prominent recognition motif for oxoanion binding both in Nature
and in abiotic systems. However, simple ion pairing based on alkyl guanidinium cations is …

Cooperative hydrogen-bonding in adenine− thymine and guanine− cytosine base pairs. Density functional theory and møller− plesset molecular orbital study

A Asensio, N Kobko… - The Journal of Physical …, 2003 - ACS Publications
The cooperative contributions to the H-bonding interaction energies of the adenine− thymine
and guanine− cytosine base pairs have been evaluated using molecular orbital theory. The …

[PDF][PDF] It is important to compute intramolecular hydrogen bonding in drug design

MJR Yunta - Am. J. Model. Optim, 2017 - researchgate.net
The effect of weak intermolecular interactions on the binding affinity between ligand-protein
complexes plays an important role in stabilizing a ligand at the interface of a protein …