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

982 views

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

1,379 views
1 citation

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

988 views
1 citation

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

2,431 views
2 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

712 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

1,237 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

1,096 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

2,127 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

1,585 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

2,452 views

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

1,348 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

2,029 views
4 citations

Original Research

Published on 06 Apr 2023

Two-dimensional half-metallicity in transition metal atoms decorated Cr2Ge2Te6

in Chemical Physics and Physical Chemistry

Wei Kang
Xue Du
Jintian Wang
Ziqin Ye
Jinghong Zhao
Wei Wang
Yan Wang
Lin Wang
Xiaoqing Liu

Frontiers in Physics

doi 10.3389/fphy.2023.1188513

1,887 views
4 citations

Original Research

Published on 03 Apr 2023

High thermoelectric performance of TlInSe3 with ultra-low lattice thermal conductivity

in Chemical Physics and Physical Chemistry

Xixi Yin
Lang Zhou
Qi Wang
Yangfang Liao
Bing Lv

Frontiers in Physics

doi 10.3389/fphy.2023.1172989

1,848 views

Original Research

Published on 31 Mar 2023

The dynamic investigation of intrinsic vibration characteristics of a stranding machine by the finite element method

in Chemical Physics and Physical Chemistry

Kai Ren
Bo Leng
Chang Zhang
Qingyun Sun
Wencheng Tang

Frontiers in Physics

doi 10.3389/fphy.2023.1159064

2,046 views

Original Research

Published on 23 Mar 2023

Sampling strategies for the Herman–Kluk propagator of the wavefunction

in Chemical Physics and Physical Chemistry

Fabian Kröninger
Caroline Lasser
Jiří J. L. Vaníček

Frontiers in Physics

doi 10.3389/fphy.2023.1106324

1,421 views
2 citations

Navigation group

Articles

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

Two-dimensional half-metallicity in transition metal atoms decorated Cr2Ge2Te6

High thermoelectric performance of TlInSe3 with ultra-low lattice thermal conductivity

The dynamic investigation of intrinsic vibration characteristics of a stranding machine by the finite element method

Sampling strategies for the Herman–Kluk propagator of the wavefunction