Local density corrected three-body distribution functions for probing local structure reorganization in liquids

Literature Information

Publication Date 2008-09-30
DOI 10.1039/B807305H
Impact Factor 3.676
Authors

Anirban Bhattacharjee, Thomas S. Hofer, Bernd M. Rode


View Original

Abstract

Three-body distribution functions are calculated for metal ions in an aqueous medium in order to investigate and characterise solvent structure reorganization. Based on the existing formulation of three body correlation function, a local density correction is introduced to enable a comparison of different sub-regions within a solvate as well as different systems, thus taking into account the varying density arising from the influence of the solute.

Related Literature

A simple model for calculating atomic charges in molecules

Anton J. Stasyuk

2018-08-25 Paper

DOI: 10.1039/C8CP03764G

Doping effect on the local structure of metamagnetic Co doped Ni/NiO:GO core–shell nanoparticles using X-ray absorption spectroscopy and the pair distribution function

U. P. Gawai, D. K. Gaikwad, M. R. Bodke, H. A. Khawal, K. K. Pandey, A. K. Yadav, S. N. Jha, D. Bhattacharyya, B. N. Dole

2018-12-05 Paper

DOI: 10.1039/C8CP05267K

Charge-transfer state dynamics in all-polymer solar cells: formation, dissociation and decoherence

Jiaqing Huang, Yijie Mo, Yao Yao

2019-01-03 Paper

DOI: 10.1039/C8CP06467A

Theoretical study on the reaction mechanism and selectivity of acetylene semi-hydrogenation on Ni–Sn intermetallic catalysts

Tao Sun, Yu-Sen Yang, Pan Yin, Min Pu, Hong Yan, Min Wei

2018-12-12 Paper

DOI: 10.1039/C8CP06032K

Improved charge carrier dynamics in polymer/perovskite nanocrystal based hybrid ternary solar cells

Bianka M. D. Puscher, Ali Asghar Katbab, Ievgen Levchuk, Negar Kazerouni, Nicola Gasparini, Nadia Camaioni, Andres Osvet, Miroslaw Batentschuk, Rainer H. Fink, Dirk M. Guldi

2018-09-01 Paper

DOI: 10.1039/C8CP03743D

Contents list

Front/Back Matter

DOI: 10.1039/C9CP90003A

Pressure induced excellent thermoelectric behavior in skutterudites CoSb3 and IrSb3‡

Xiuxian Yang, Zhenhong Dai, Yinchang Zhao, Wenchao Niu, Jianye Liu

2018-11-21 Paper

DOI: 10.1039/C8CP04301A

You might also like

Compound Q&A

How is 3-(2-Bromoimidazo[2,1-b]thiazol-6-yl)propanoic acid hydrochloride (CAS: 1187830-80-3) typically synthesized?

3-(2-Bromoimidazo[2,1-b]thiazol-6-yl)propanoic acid hydrochloride is typically s...

1187830-80-33-(2-Bromoimidazo[2,...
Compound Q&A

How is 2-Isopropyl-1,3-dioxane-5-carboxylic acid (CAS: 116193-72-7) typically synthesized?

2-Isopropyl-1,3-dioxane-5-carboxylic acid is typically synthesized by the carbox...

116193-72-72-Isopropyl-1,3-diox...
Compound Q&A

What is Alisporivir (CAS: 254435-95-5)?

Alisporivir (CAS: 254435-95-5) is an antiviral medication used in the treatment ...

254435-95-5Alisporivir
Compound Q&A

What are the physical and chemical properties of [1,2,4]triazolo[3,4-a]phthalazine (CAS: 234-80-0)?

[1,2,4]triazolo[3,4-a]phthalazine (CAS: 234-80-0) is a crystalline compound with...

234-80-0[1,2,4]triazolo[3,4-...
1985597-72-5(2S)-5-Hydroxy-2-(4-...
Compound Q&A

Is 2,2-Difluorocyclohexanamine hydrochloride (CAS: 921602-83-7) safe?

2,2-Difluorocyclohexanamine hydrochloride is generally safe when handled under p...

921602-83-72,2-Difluorocyclohex...
Compound Q&A

What are the main uses of 3-Nitro-2-phenylthiophene (CAS: 18150-94-2)?

3-Nitro-2-phenylthiophene is primarily used in the synthesis of other organic co...

18150-94-23-Nitro-2-phenylthio...
Compound Q&A

What is 1-(Trifluoroacetyl)-4-piperidinecarbonitrile (CAS: 77940-79-5)?

1-(Trifluoroacetyl)-4-piperidinecarbonitrile (CAS: 77940-79-5) is a colorless to...

77940-79-51-(Trifluoroacetyl)-...
Compound Q&A

What is the market or research trend for 1,3,6,8-Tetranitro-9H-carbazole (CAS: 4543-33-3)?

Research and market trends for 1,3,6,8-Tetranitro-9H-carbazole (CAS: 4543-33-3) ...

4543-33-31,3,6,8-Tetranitro-9...
Compound Q&A

How should waste containing Dibenzo[b,d]thiophen-1-ylboronic acid (CAS: 1245943-60-5) be handled?

Waste containing Dibenzo[b,d]thiophen-1-ylboronic acid (CAS: 1245943-60-5) shoul...

1245943-60-5Dibenzo[b,d]thiophen...

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.