Ab Initio Molecular Dynamics Studies of Tetrasulfur. Dynamics Coupling the C2v Open and D2h Closed Forms of S4-Reference-Cited by-同舟云学术

Ab Initio Molecular Dynamics Studies of Tetrasulfur. Dynamics Coupling the C2v Open and D2h Closed Forms of S4

Published:2010-11-04 Issue:47 Volume:114 Page:12378-12383
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Ramírez-Solís A.¹,Jolibois Franck¹,Maron Laurent¹

Affiliation:

1. Departamento de Física, Facultad de Ciencias, Universidad Autónoma del Estado de Morelos, Av. Universidad 1001, Cuernavaca, Morelos, 62209, México, and Laboratoire de Physique de Nano-Objets, INSA, IRSAMC, Université Paul Sabatier de Toulouse, 31062 Toulouse Cedex, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp107994k

Reference51 articles.

1. Conformational analysis. 121. Elemental sulfur

2. Explanation for the structural differences of S2+4, S04 and S2−4

3. Molecular orbital study of structural changes on oxidation and reduction of S3, S4, S6, and S8

4. Ground states of molecules. 56.MNDO calculations for molecules containing sulfur

Cited by 8 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Computational refinement of the puzzling red tetrasulfur chromophore in ultramarine pigments;Physical Chemistry Chemical Physics;2020

2. Computational analysis of vibrational modes in tetra-sulfur using dimensionally reduced potential energy surface;Molecular Physics;2019-02-12

3. Recombination reactions as a possible mechanism of mass-independent fractionation of sulfur isotopes in the Archean atmosphere of Earth;Proceedings of the National Academy of Sciences;2017-03-03

4. Pseudo Jahn-Teller origin of puckering in cyclohexahomoatomic molecules E6 (E = S, Se, Te) and restoring S6 planar ring configuration;Journal of Molecular Structure;2015-10

5. On the thermal stability of the branched hexasulfane isomers. A DFT molecular dynamics study of H2S6 conformers;Chemical Physics Letters;2014-06