Special Issue "Quantum Information in Molecular Structures and Nanosystems"
Deadline for manuscript submissions: closed (15 June 2014)
Dr. Mihai V. Putz
Associate Professor of Theoretical Physical Chemistry, Chemistry Department-West University of Timisoara, Str. Pestalozzi No. 16, Timisoara, RO-300115, Romania
Fax: +40 256 592620
Interests: quantum physical chemistry; reactivity indices and principles; electronegativity; density functional theory; path integrals; enzyme kinetics; QSAR; epistemology and philosophy of science
Due to the current tremendous demand for new functional and non-toxic chemical compounds and materials for everyday life and technology, pharmacy and environmental prevention, energy harvesting, etc., the cross-fertilization of natural disciplines such as mathematics, physics, chemistry, and biology should be applied using inter- and trans-disciplinary approaches with an aim of optimizing the design–synthesis–application process : From polycyclic aromatic hydrocarbons to fullerenes, from sol-gel techniques to graphenic sheets, from topological defects to phase transitions, from chemical reactivity to biological activity and to eco-toxicity of a given target molecule or of a class of similar compounds. Manifested properties of concerned molecules and nanostructures are basically controlled, predicted and functionalized by employing the basic quantum structure principles and of allied properties regarding evolution, transfer and interaction of electrons and atoms in molecules, biomolecules, and of their nano-aggregates. Quantum-nano-information becomes therefore the true playground by which the qualitative-quantitative conceptual-functional “jump” rather than “just progress” may be achieved aiming for the betterment of life in the long run, and, in the interim, analyzing functional molecular integrated-systems for special applications (e.g. deposition, transferring, amplifying, converting and controlling the macro-material information through their nano-molecular structural properties). The objective of this Special Issue is in gathering the basic, as well as frontier approaches, of quantum information and molecular topology for single, ribbon and extended nano-molecular systems, in reciprocal equilibrium and dynamics, already synthesized or virtually designed.
Dr. Dr. Habil. Mihai V. Putz
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. Papers will be published continuously (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as 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 refereed through a 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 monthly journal published by MDPI.
- quantum information theory, shapes of atoms-in-molecules
- new chemical bonding paradigms
- nanostructures and topological defects
- reactivity and topological indices
- crystallography; computational chemistry
- molecular and nanostructure design
- nanostructure synthesis and quantum characterization