Frontiers in Physics | Chemical Physics and Physical Chemistry

Original Research

Published on 19 Mar 2025

A first-principles density functional theory study on the piezocatalytic activity of tetragonal perovskite PbTiO3

in Chemical Physics and Physical Chemistry

Xinyi Sun
Xiangyu Zhu
Erjun Kan
Cheng Zhan

Frontiers in Physics

doi 10.3389/fphy.2025.1562239

257 views

Original Research

Accepted on 18 Mar 2025

Analysis of expected value of connectivity indices of random 2 T 2 kink chains

in Chemical Physics and Physical Chemistry

Ying Wang
Asima Razzaque
Maham Khalil
Salma Kanwal
Saima Noor
Robina Nazir

Frontiers in Physics

doi 10.3389/fphy.2025.1538443

Original Research

Published on 04 Mar 2025

Estimating the prediction ability of reverse degree-based entropy indices for the physicochemical properties of lymes disease drugs

in Chemical Physics and Physical Chemistry

Guoping Zhang
Yali Li
Abdul Rauf
Muhammad Aamir Afzal
Parvez Ali
Adnan Aslam

Frontiers in Physics

doi 10.3389/fphy.2025.1536995

373 views

Original Research

Published on 20 Jan 2025

The prediction of X2B6 monolayers with ultrahigh carrier mobility

in Chemical Physics and Physical Chemistry

Xiuzhi Du
Zhaoming Huang

Frontiers in Physics

doi 10.3389/fphy.2024.1534301

409 views

Original Research

Published on 18 Apr 2024

Analyzing the role of reducible molecular descriptors and thermodynamic aspects of anti-tuberculosis drugs via QSPR study

in Chemical Physics and Physical Chemistry

Sajid Mahboob Alam
Niat Nigar
Muhammad Waheed Rasheed
Laiba Amin

Frontiers in Physics

doi 10.3389/fphy.2024.1383216

1,375 views
1 citation

Original Research

Published on 18 Apr 2024

Uses of degree-based topological indices in QSPR analysis of alkaloids with poisonous and healthful nature

in Chemical Physics and Physical Chemistry

Muhammad Waheed Rasheed
Abid Mahboob
Iqra Hanif

Frontiers in Physics

doi 10.3389/fphy.2024.1381887

2,152 views
4 citations

Original Research

Published on 08 Apr 2024

Investigating the properties of octane isomers by novel neighborhood product degree-based topological indices

in Chemical Physics and Physical Chemistry

Muhammad Waheed Rasheed
Abid Mahboob
Iqra Hanif

Frontiers in Physics

doi 10.3389/fphy.2024.1369939

1,432 views
3 citations

Mini Review

Published on 26 Feb 2024

Development of fullerene acceptors and the application of non-fullerene acceptors in organic solar cells

in Chemical Physics and Physical Chemistry

Wen-Shuo Du
Gong Wang
Yun-Fei Li
Yu Yu

Frontiers in Physics

doi 10.3389/fphy.2024.1378909

3,689 views
5 citations

Correction

Published on 23 Feb 2024

Corrigendum: Exciton dynamics in conjugated polymer systems

in Chemical Physics and Physical Chemistry

William Barford

Frontiers in Physics

doi 10.3389/fphy.2024.1379177

858 views

Original Research

Published on 14 Sep 2023

From a Co-Mo precursor to 1H and 1T Co-promoted MoS2: exploring the effects of gas pressure

in Chemical Physics and Physical Chemistry

M. K. Prabhu
I. M. N. Groot

Frontiers in Physics

doi 10.3389/fphy.2023.1240731

1,392 views
1 citation

Original Research

Published on 31 Aug 2023

Densities and excess molar volumes of the binary systems of the ionic liquid trihexyl(tetradecyl)phosphonium bromide mixed with acetonitrile or tetrahydrofuran at temperatures from 293.15 to 313.15 K

in Chemical Physics and Physical Chemistry

Octavio Elizalde-Solis
Abel Zúñiga-Moreno
Luis E. Camacho-Camacho
Ricardo García-Morales
Sandro González-Arias
Francisco J. Verónico-Sánchez

Frontiers in Physics

doi 10.3389/fphy.2023.1208382

1,260 views
2 citations

Original Research

Published on 23 Aug 2023

Thermodynamic modelling of mixtures of water, carbon dioxide and hydrogen at high pressure and temperature for hydrothermal CO2 reduction processes

in Chemical Physics and Physical Chemistry

Iván Navarro-Cárdenas
Ángel Martín

Frontiers in Physics

doi 10.3389/fphy.2023.1219630

2,458 views

Perspective

Published on 17 Aug 2023

Interpretation and prediction of optical properties: novel fluorescent dyes as a test case

in Chemical Physics and Physical Chemistry

Xinxing Li
Xiuping Yin
Yue-Ling Bai
Malgorzata Biczysko

Frontiers in Physics

doi 10.3389/fphy.2023.1236987

1,779 views

Original Research

Published on 07 Aug 2023

In silico studies of OLED device architectures regarding their efficiency

in Chemical Physics and Physical Chemistry

Ali Deniz Özdemir
Fabian Li
Franz Symalla
Wolfgang Wenzel

Frontiers in Physics

doi 10.3389/fphy.2023.1222589

2,716 views
1 citation

Editorial

Published on 21 Jul 2023

Editorial: Calculation and design of two-dimensional thermoelectric and piezoelectric materials

in Chemical Physics and Physical Chemistry

Guangzhao Wang
Huabing Yin
San-Dong Guo
Yee Sin Ang

Frontiers in Physics

doi 10.3389/fphy.2023.1244195

1,483 views
1 citation

Technology and Code

Published on 12 Jul 2023

The localised density of H2O2 in the effluent of a cold atmospheric pressure plasma jet determined by continuous-wave cavity ring-down spectroscopy

in Chemical Physics and Physical Chemistry

S.-J. Klose
L. Krös
J. H. van Helden

Frontiers in Physics

doi 10.3389/fphy.2023.1221181

2,207 views
5 citations

Navigation group

Articles

A first-principles density functional theory study on the piezocatalytic activity of tetragonal perovskite PbTiO3

Analysis of expected value of connectivity indices of random 2 T 2 kink chains

Estimating the prediction ability of reverse degree-based entropy indices for the physicochemical properties of lymes disease drugs

The prediction of X2B6 monolayers with ultrahigh carrier mobility

Analyzing the role of reducible molecular descriptors and thermodynamic aspects of anti-tuberculosis drugs via QSPR study

Uses of degree-based topological indices in QSPR analysis of alkaloids with poisonous and healthful nature

Investigating the properties of octane isomers by novel neighborhood product degree-based topological indices

Development of fullerene acceptors and the application of non-fullerene acceptors in organic solar cells

Corrigendum: Exciton dynamics in conjugated polymer systems

From a Co-Mo precursor to 1H and 1T Co-promoted MoS2: exploring the effects of gas pressure

Densities and excess molar volumes of the binary systems of the ionic liquid trihexyl(tetradecyl)phosphonium bromide mixed with acetonitrile or tetrahydrofuran at temperatures from 293.15 to 313.15 K

Thermodynamic modelling of mixtures of water, carbon dioxide and hydrogen at high pressure and temperature for hydrothermal CO2 reduction processes

Interpretation and prediction of optical properties: novel fluorescent dyes as a test case

In silico studies of OLED device architectures regarding their efficiency

Editorial: Calculation and design of two-dimensional thermoelectric and piezoelectric materials

The localised density of H2O2 in the effluent of a cold atmospheric pressure plasma jet determined by continuous-wave cavity ring-down spectroscopy