Special Issue "Gulliver in the Country of Lilliput: An Interplay of Noncovalent Interactions"
A special issue of Molecules (ISSN 1420-3049).
Deadline for manuscript submissions: 30 September 2020.
Interests: noncovalent interactions; H-bond; soft matter; surface; porous materials; NMR
“Great things are done by a series of small things brought together.”
Vincent Van Gogh
Noncovalent interactions are the bridge between the ideal gas abstraction and the real world. For a long time, they were covered by two terms: van der Waals interactions and hydrogen bonding. Both experimental and quantum chemical studies have contributed to the understanding of the nature of these interactions. In the last decade, great progress has been made in identifying, quantifying, and visualizing noncovalent interactions. New types of interactions have been classified; their energetic and spatial properties have been tabulated.
In the past, most studies were limited to the analysis of the single strongest interaction in a molecular system under consideration, which was held responsible for the most important structural properties of the system. Despite this limitation, such an approach often results in satisfactory approximations of experimental data. However, it requires knowledge of the structure of the molecular system and the absence of other competing interactions. The current challenge is to go beyond this limitation.
This Special Issue will collect ideas on how to study the interplay of noncovalent interactions in complex molecular systems including the effects of cooperation and anti- cooperation, solvation, reaction field, steric hindrance, intermolecular dynamics and other weak but numerous impacts on molecular conformation, chemical reactivity, and condensed matter structure. Publications about experimental manifestations of these effects or their theoretical analysis are cordially invited.
The following three leading contributions initiate this flow of ideas:
- Gerd Buntkowsky (Technische Universität Darmstadt, Garmany): “Noncovalent Interactions in Prison".
- Slawomir Grabowski (UPV/EHU and DIPC - Donostia International Physics Center, Spain): “Noncovalent Interactions as Preliminary Stages of Chemical Reactions”.
- Janez Mavri (National Institute of Chemistry, Slovenia), Mojca Kržan (University of Ljubljana, Slovenia), Robert Vianello (Ruđer Bošković Institute, Croatia) contribute a paper about the multiscale simulation of monoaminergic system in conjunction with an experiment.
Dr. Ilya Shenderovich
Manuscript Submission Information
Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.
Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2000 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.
- Interactions H-bond
- Halogen bonds
- Molecular recognition
- IR and Raman spectroscopy
- X-ray diffraction
Title: Noncovalent Interactions in Prison
Author: Gerd Buntkowsky
Affiliation: Technische Universität Darmstadt, Garmany
Title: Noncovalent Interactions as Preliminary Stages of Chemical Reactions
Author: Slawomir Grabowski
Affiliation: UPV/EHU and DIPC - Donostia International Physics Center, Spain
Title: The multiscale simulation of monoaminergic system in conjunction with an experiment
Author: Janez Mavri (a), Mojca Kržan (b), Robert Vianello (c)
(a) National Institute of Chemistry, Slovenia
(b) University of Ljubljana, Slovenia
(c) Ruđer Bošković Institute, Croatia
Title: Interplay between substituent effect, hydrogen bonding and aromaticity in adenine-uracil and adenine-adenine base pairs
Author: Paweł A. Wieczorkiewicz (a), Halina Szatylowicz (a)*, Tadeusz M. Krygowski (b)
(a) Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw, Poland
(b) Faculty of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland