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Multipole polarizabilities of spherically confined hydrogen atom and positronium in screened Coulomb potential
Author: He, Yu Ying; Jiao, Li Guang; Liu, Aihua; Montgomery, Henry E., Jr.; Ho, Yew Kam
Journal: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2023; Vol. 123, Issue 1, pp. -. DOI: 10.1002/qua.27009
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Theoretical calculation of nitro-1-(2,4,6-trinitrophenyl)-1H-azoles energetic compounds
Author: Qi, Zhibin; Lu, Yong; Gou, Ruijun; Zhang, Shuhai
Journal: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2023; Vol. 123, Issue 2, pp. -. DOI: 10.1002/qua.27012
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Molecular level investigation on the dispersion of hydrophilic modified SiO2 nanoparticles in water from a bond energy viewpoint
Author: Liu, Nannan; Chen, Yan; Yu, Changfeng; Wu, Dan; Chen, Xinglong; Xu, Hui; Mu, Shuaichen; Zhu, Qingjie
Journal: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2023; Vol. 123, Issue 3, pp. -. DOI: 10.1002/qua.27020
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The expected values for the Gutman index, Schultz index, and some Sombor indices of a random cyclooctane chain
Author: Liu, Jia-Bao; Gu, Jiao-Jiao; Wang, Kang
Journal: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2023; Vol. 123, Issue 3, pp. -. DOI: 10.1002/qua.27022
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Can the quasi-molecule concept help in deciphering planarity? The case of polycyclic aromatic hydrocarbons
Author: Varandas, Antonio J. C.
Journal: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2023; Vol. 123, Issue 4, pp. -. DOI: 10.1002/qua.27036
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Theoretical study of the mechanism and kinetics of the atmospheric reaction of acrylic acid with NO3 radical
Author: Sun, Jingyu; Xiao, Weikang; Tang, Yizhen; Zhang, Yunju
Journal: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2023; Vol. 123, Issue 4, pp. -. DOI: 10.1002/qua.27034
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Open-circuit voltage loss and dielectric constants as new descriptors in machine learning study on organic photovoltaics
Author: Yang, Bing; Zhang, Cai-Rong; Wang, Yu; Zhao, Miao; Yu, Hai-Yuan; Liu, Zi-Jiang; Liu, Xiao-Meng; Chen, Yu-Hong; Wu, You-Zhi; Chen, Hong-Shan
Journal: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2023; Vol. 123, Issue 5, pp. -. DOI: 10.1002/qua.27039
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Kirchhoff index and complexity of linear Mobius and cylinder octagonal-quadrilateral networks with respect to Laplacians
Author: Fang, Lu-Lu; Liu, Jia-Bao; Zheng, Qian; Peng, Xin-Bei
Journal: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. 2023; Vol. 123, Issue 4, pp. -. DOI: 10.1002/qua.27037
