Semiclassical dissociation dynamics in coplanar atom–diatom collisions

Literature Information

Publication Date
DOI 10.1039/A807087C
Impact Factor 3.676
Authors


View Original

Abstract

Dissociation processes in planar atom–diatom collisions are studied with a semiclassical method which treats the relative radial motion in classical mechanics and the other motions, i.e. vibration/dissociation and (orbital and molecular) rotation, in quantum mechanics. The semiclassical equation is solved in a numerically accurate manner. Comparison is made between the accurate numerical results and those obtained by using centrifugal sudden and infinite order sudden approximations.

Related Literature

An insight into the origin of room-temperature ferromagnetism in SnO2 and Mn-doped SnO2 quantum dots: an experimental and DFT approach

Dhamodaran Manikandan, S. Amirthapandian, I. S. Zhidkov, A. I. Kukharenko, S. O. Cholakh, Ramaswamy Murugan

2018-01-31 Paper

DOI: 10.1039/C7CP07182E

Reverse electrodialysis in bilayer nanochannels: salinity gradient-driven power generation

Rui Long, Zhengfei Kuang, Zhichun Liu, Wei Liu

2018-02-19 Paper

DOI: 10.1039/C7CP08394G

Open flow non-enzymatic template catalysis and replication

Larwsk H. Gonçalves da Silva, David Hochberg

2018-05-11 Paper

DOI: 10.1039/C8CP01828F

Chemistry through cocrystals: pressure-induced polymerization of C2H2·C6H6 to an extended crystalline hydrocarbon

Matthew D. Ward, Haw-Tyng Huang, Li Zhu, Arani Biswas, Dmitry Popov, Timothy A. Strobel

2018-02-02 Paper

DOI: 10.1039/C7CP07852H

Use multiscale simulation to explore the effects of the homodimerizations between different conformation states on the activation and allosteric pathway for the μ-opioid receptor

Xi Zhang, Yuan Yuan, Longrong Wang, Yanzhi Guo, Menglong Li, Chuan Li, Xuemei Pu

2018-04-19 Paper

DOI: 10.1039/C8CP02016G

Adsorption of alcohols and hydrocarbons on nonstoichiometric cementite{010} surfaces

David Muñoz Ramo, Stephen J. Jenkins

2018-05-03 Paper

DOI: 10.1039/C8CP01028E

Back cover

Cover

DOI: 10.1039/C8CP91777A

Intramolecular singlet fission in a face-to-face stacked tetracene trimer

Xuemin Wang, Rui Wang, Li Shen, Zhaofeng Tang, Congying Wen, Bin Dong, Heyuan Liu, Chunfeng Zhang, Xiyou Li

2018-02-02 Paper

DOI: 10.1039/C7CP07841B

You might also like

Compound Q&A

What is 3-Fluoro-2-methylbenzylamine (CAS: 771573-36-5)?

3-Fluoro-2-methylbenzylamine is an organic compound with the CAS number 771573-3...

771573-36-53-Fluoro-2-methylben...
Compound Q&A

Is Tert-butyl 2-(oxetan-3-ylidene)acetate (CAS: 1207175-03-8) safe?

Tert-butyl 2-(oxetan-3-ylidene)acetate is considered safe for its intended uses ...

1207175-03-8Tert-butyl 2-(oxetan...
Compound Q&A

What precautions should be taken when handling 4-Acetyl-2-fluorobenzonitrile (CAS: 214760-18-6)?

Proper personal protective equipment (PPE) such as gloves, goggles, and a lab co...

214760-18-64-Acetyl-2-fluoroben...
Compound Q&A

How is 2-Ethyl-4-methyl-1,3-thiazole (CAS: 15679-12-6) typically synthesized?

2-Ethyl-4-methyl-1,3-thiazole is commonly synthesized via the reaction of thiour...

15679-12-62-Ethyl-4-methyl-1,3...
Compound Q&A

How should 5',5''-([2,2'-Bithiophene]-5,5'-diyl)bis(([1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid)) (CAS: 1227780-71-3) be stored?

This compound should be stored in a cool, dry place away from direct sunlight an...

1227780-71-35',5''''-([2,2'-Bith...
Compound Q&A

What regulatory guidelines apply to L-Lysine Acetate Salt (CAS: 52315-92-1)?

L-Lysine Acetate Salt (CAS: 52315-92-1) is subject to various regulatory guideli...

52315-92-1L-LYSINE ACETATE SAL...
Compound Q&A

Is 6-Fluoro-3-hydroxy-2-pyrazinecarboxamide (CAS: 259793-96-9) safe?

6-Fluoro-3-hydroxy-2-pyrazinecarboxamide (CAS: 259793-96-9) is generally conside...

259793-96-96-Fluoro-3-hydroxy-2...
Compound Q&A

What are the physical and chemical properties of 1,1'-Sulfonylbis(1H-imidazole) (CAS: 7189-69-7)?

1,1'-Sulfonylbis(1H-imidazole) is a crystalline solid with a molecular weight of...

7189-69-71,1'-Sulfonylbis(1H-...
Compound Q&A

What industries use 4-methyl-7-nitro-1H-indole-3-carbonitrile (CAS: 289483-82-5)?

4-Methyl-7-nitro-1H-indole-3-carbonitrile (CAS: 289483-82-5) is primarily used i...

289483-82-54-methyl-7-nitro-1H-...
Compound Q&A

How should waste containing 5-Bromo-3-indolyl-beta-galactoside (CAS: 97753-82-7) be handled?

Waste containing 5-Bromo-3-indolyl-beta-galactoside (CAS: 97753-82-7) should be ...

97753-82-75-Bromo-3-indolyl-be...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.