Search for Articles:
Title / Keyword
Author / Affiliation / Email
Journal
Article Type
 
 
Advanced Search
 
Section
Special Issue
Volume
Issue
Number
Page
 
7.4
4.2
Journals
Molecules
Special Issues
Selected Papers from the 2nd International Symposium on New Molecules...
molecules-logo
Submit to Molecules Review for Molecules Propose a Special Issue

Journal Menu

► Journal Menu

Journal Browser

► Journal Browser
share announcement

Selected Papers from the 2nd International Symposium on New Molecules and Clusters

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Physical Chemistry".

Deadline for manuscript submissions: closed (31 October 2018) | Viewed by 5756

Special Issue Editors

Prof. Dr. Mingfei Zhou

E-Mail Website
Guest Editor
Department of Chemistry, Fudan University, No. 220, Handan Rd., Shanghai 200433, China
Interests: infrared spectroscopy; matrix isolation; reaction intermediates; free radicals; reaction mechanisms; infrared photodissociation spectroscopy; atomic and molecular clusters; donor-acceptor bonding; metal–metal bonding; computational chemistry
Prof. Dr. Xiaoqing Zeng

E-Mail Website
Guest Editor
Chemical Engineering and Materials Science, Soochow University, Suzhou, China
Interests: reactive intermediates; vibrational spectra; photochemistry; matrix isolation; energetic materials; reaction kinetics; atmospheric chemistry; astrochemistry; computational chemistry; molecular structure and conformation; quantum mechanical tunneling
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Ling Jiang

E-Mail Website
Guest Editor
State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 457 Zhongshan Road, Dalian 116023, China
Interests: infrared photodissociation; photoelectron spectroscopy; table-top OPO/OPA laser; infrared free electron laser; vacuum ultraviolet free electron laser; clusters; atmospheric chemistry

Special Issue Information

Dear Colleagues,

Building on the great success of the 1st International Symposium on New Molecules and Clusters, held in Shanghai, China, 27–30 May, 2016, we will be holding the 2nd International Symposium on New Molecules and Clusters will be held in Shanghai, 18–20 August, 2018.

Following the spirit of the 1st meeting, this symposium is dedicated to new molecules and clusters exhibiting unusual bonding interactions. The field has been the topic of intensive experimental and theoretical studies in recent years, which has pushed the frontiers of our knowledge about chemical structures and bonding to new dimensions. We hope that the symposium will provide an intimate atmosphere for both experimentalists and theoreticians to freely present and exchange new ideas. The number of speakers is restricted to about 25 internationally-leading scientists in this area. For all details please see: http://www.molecule.fudan.edu.cn

Participants of the symposium are cordially invited to contribute original research papers or reviews to this Special Issue of Molecules.

Prof. Dr. Mingfei Zhou
Prof. Dr. Xiaoqing Zeng
Prof. Dr. Ling Jiang
Guest Editors

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. 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 2700 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.

Keywords

  • chemical bonding
  • new molecules
  • clusters
  • spectroscopy
  • theoretical calculations

Benefits of Publishing in a Special Issue

  • Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
  • Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
  • Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
  • External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
  • e-Book format: Special Issues with more than 10 articles can be published as dedicated e-books, ensuring wide and rapid dissemination.

Further information on MDPI's Special Issue policies can be found here.

Published Papers (1 paper)

Order results
Result details
Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:

Research

19 pages, 2122 KiB  
Article
The Role of (H2O)1-2 in the CH2O + ClO Gas-Phase Reaction
by Junyao Li, Narcisse T. Tsona and Lin Du
Molecules 2018, 23(9), 2240; https://doi.org/10.3390/molecules23092240 - 3 Sep 2018
Cited by 9 | Viewed by 5214
Abstract
Mechanism and kinetic studies have been carried out to investigate whether one and two water molecules could play a possible catalytic role on the CH2O + ClO reaction. Density functional theory combined with the coupled cluster theory were employed to explore [...] Read more.
Mechanism and kinetic studies have been carried out to investigate whether one and two water molecules could play a possible catalytic role on the CH2O + ClO reaction. Density functional theory combined with the coupled cluster theory were employed to explore the potential energy surface and the thermodynamics of this radical-molecule reaction. The reaction proceeded through four different paths without water and eleven paths with water, producing H + HCO(O)Cl, Cl + HC(O)OH, HCOO + HCl, and HCO + HOCl. Results indicate that the formation of HCO + HOCl is predominant both in the water-free and water-involved cases. In the absence of water, all the reaction paths proceed through the formation of a transition state, while for some reactions in the presence of water, the products were directly formed via barrierless hydrogen transfer. The rate constant for the formation of HCO + HOCl without water is 2.6 × 10−16 cm3 molecule−1 s−1 at 298.15 K. This rate constant is decreased by 9−12 orders of magnitude in the presence of water. The current calculations hence demonstrate that the CH2O + ClO reaction is impeded by water. Full article
(This article belongs to the Special Issue Selected Papers from the 2nd International Symposium on New Molecules and Clusters)
►▼ Show Figures

Graphical abstract

Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:
 
Displaying articles 1-1
Back to TopTop