Chemistry: Symmetry/Asymmetry—Feature Papers and Reviews

Dear Colleagues,

Symmetry and asymmetry are fascinating topics in chemistry. "Chemistry: Symmetry/Asymmetry. Feature Papers and Reviews" is a Special Issue that covers a wide range of topics related to symmetry or asymmetry in chemistry. Papers submitted to Symmetry may include all types of symmetry-related problems in chemistry. All organic chemists, theoretical chemists, and crystal chemists are invited to submit papers focusing on, but not limited to, the following emerging research topics in related areas:

• Chirality;
• Enantiomers;
• Diastereomers;
• Molecular symmetry;
• Plane of symmetry;
• Asymmetric carbon;
• Optically active compounds;
• Stereocenter;
• Homochirality;
• Symmetry elements;
• Mirror plane;
• Molecular chirality;
• Asymmetric synthesis;
• Optical resolution;
• X-ray crystallography;
• X-ray structures;
• Crystal structures;
• Homochirality in chemistry and biochemistry;
• Symmetry and spectroscopy;
• Symmetry and isomerism;
• Homochirality in the origin of life;
• Chirogenesis;
• Stereoselective synthesis;
• Chiral ligands.

Prof. Dr. György Keglevich
Guest Editor

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 submissions that pass pre-check are 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. Symmetry is an international peer-reviewed open access monthly 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 2400 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.

• chirality
• enantiomers
• diastereomers
• molecular symmetry
• plane of symmetry
• asymmetric carbon
• optically active compounds
• stereocenter
• homochirality
• symmetry elements
• mirror plane
• molecular chirality
• asymmetric synthesis
• optical resolution
• X-ray crystallography
• X-ray structures
• crystal structures
• homochirality in chemistry and biochemistry
• symmetry and spectroscopy

Title: Lie Unitary approach for variational chemical dynamics in quantum computing
Authors: Jorge A. Morales
Affiliation: Texas Tech University, Dept. of Chemistry and Biochemistry 039

Title: Sum-frequency generation spectroscopy at the aqueous electrochemical interface
Authors: Ba Lich Pham; Alireza Ranjbari; Laetitia Dalstein; Christophe Humbert
Affiliation: Univ Paris-Sud, Université Paris-Saclay, Laboratoire de Chimie Physique, CNRS, Batiment 201 P2, 91405 Orsay, France

Title: Synthesis, X-ray diffraction and computational drug-likeness evaluation of new pyrrolo[1,2-a][1,10]phenanthrolines bearing a 9-cyano group
Authors: Mihaela Cristea; Amalia Stefaniu; Marcel Mirel Popa; Sergiu Shova; Constantin Drăghici; Mihai Răducă; Doriana Banu; Florea Dumitrascu
Affiliation: National Institute for R&D in Microtechnology, IMT Bucharest
Abstract: New 9-cyano-pyrrolo[1,2-a][1,10]phenanthrolines 5a–c, obtained by 1,3-dipolar cycloaddition reaction between the corresponding N-ylides of 1,10-phenanthrolinium bromides 2a–c generated in-situ and acrylonitrile as a dipolarophile, were investigated by single-crystal X-ray diffraction and computational studies to assess their druglikeness and evaluate their structure activity properties. The non-covalent interactions present within the supramolecular landscape of the new 9-cyano-pyrrolo[1,2-a][1,10]phenanthrolines were correlated with the SAR investigations with the aim to estimate the propensity for bioactivity of these compounds.

Title: ELECTROCHEMISTRY AND DFT CALCULATION ON TETRAHYDROACRIDINES
Authors: Eleonora-Mihaela Ungureanu
Affiliation: Faculty of Chemical Engineering and Biotechnologies, University “Politehnica” of Bucharest, Gheorghe Polizu 1–7, Romania

Title: Enumeration of n-dimensional hypercube and icosahedral dice based on their Symmetries
Authors: Krishnan Balasubramanian
Affiliation: School of Molecular Sciences Arizona State University Tempe, AZ 85287-1604
Abstract: The Las Vegas/Monte Carlo cubic dice are generalized to construct the combinatorial problem of enumerating n-dimensional hypercube dice and dice of other shapes that exhibit cubic and icosahedral symmetries. By utilizing powerful generating function techniques for various irreducible representations, we derive the combinatorial enumerations of all possible dice in n-dimensional space with hyperoctahedral symmetries. Likewise different shapes that exhibit icosahedral symmetries such as truncated dodecahedron and truncated icosahedron are considered for the combinatorial problem of dice enumerations with the corresponding shapes. We have also considered dice with truncated octahedron, dodecahedron and related shapes. It is shown that all enumerated dice are chiral and we provide the counts of chiral pairs of dice in the n-dimension space. Applications to chirality in n-dimension, molecular clusters, cryptography and biology are also pointed out.