Publication date: November 2023
Source: Computational and Theoretical Chemistry, Volume 1229
Author(s): Rimpi Devi, Anjali Maan, Vikas D. Ghule, Srinivas Dharavath
Copyrolysis characteristics of polyvinyl chloride, polyethylene and polypropylene based on ReaxFF molecular simulation
Publication date: November 2023
Source: Computational and Theoretical Chemistry, Volume 1229
Author(s): Sijia Xu, Yuyan Hu, Mudassir Hussain Tahir, Weijie Hu, Pengfei Zhang, Yulin Tang
Insights into the geometrical parameters, charge distribution, and reactivity of Ca, Mg, Sr, and Bi complexes of piroxicam and meloxicam: A quantum chemical study
Publication date: December 2023
Source: Computational and Theoretical Chemistry, Volume 1230
Author(s): Nasir Maha, Malka M. Samra, Nadeem Laraib, Ahmad Irfan, Muhammad Azam, Muhammad Asim Raza Basra
Molecular modelling of Al<sub>24</sub>N<sub>24</sub> nanocage for the chemical sensing of phosgene and mustard chemical warfare agents: First theoretical framework
Publication date: December 2023
Source: Computational and Theoretical Chemistry, Volume 1230
Author(s): Hafiz Ali Rizwan, Muhammad Usman Khan, Abdul Hamid, Junaid Yaqoob, Riaz Hussain, Saeed Ahmed, Manawwer Alam
Molecular configuration, electronic properties, reaction activity of metal-free naphthalocyanine under the external electric field
Publication date: December 2023
Source: Computational and Theoretical Chemistry, Volume 1230
Author(s): De-Liang Chen, Shi-Xiong Li, Yue-Ju Yang
Effects of external electric fields on molecular properties of nitrogen/tetrafluoromethane complex: A density functional theory study
Publication date: December 2023
Source: Computational and Theoretical Chemistry, Volume 1230
Author(s): Zhihao Zhou, Qingquan Qiu, Liwei Jing, Naihao Song, Yuping Teng, Jingye Zhang, Liye Xiao
Real-time detection of the transport of water cluster across cytomembrane with piezoelectric sensor
Publication date: Available online 15 August 2023
Source: Chinese Journal of Analytical Chemistry
Author(s): Peihui Yang, Yeyan Zhu, Yan Hao
Screening and identification of active compounds of GanZhiRong granule based on liquid chromatography–mass spectrometry and biomolecular networks
Publication date: September 2023
Source: Chinese Journal of Analytical Chemistry, Volume 51, Issue 9
Author(s): Si-Tong CHEN, Zhuang XIONG, Chenxu JING, Ran XIA, Xue QU, Tie-Jun LIU, Yang-Yang LIU
Development and application of an underwater mass spectrometer for in situ detection of deep-sea dissolved gases
Publication date: September 2023
Source: Chinese Journal of Analytical Chemistry, Volume 51, Issue 9
Author(s): Han WANG, Lei SHAO, Chenguang YANG, Jian ZHANG, Changjie LIU, Zhangxu WU, Haiyun SONG, Chilai CHEN
Study on the plasma metabolomics of <em>Schisandra chinensis</em> polysaccharide against ulcerative colitis and its correlation with gut microbes metabolism
Publication date: September 2023
Source: Chinese Journal of Analytical Chemistry, Volume 51, Issue 9
Author(s): Guangji ZHANG, Jiuba ZHANG, Shuai YAN, Min HAO, Chenghao FEI, De JI, Chunqin MAO, Huangjin TONG, Tulin LU, Lianlin SU