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Simulations of lead-free organic-inorganic perovskites under tensile/compressive loads and different force fields
Author: Farhadi, Bita; Zabihi, Fatemeh; Tebyetekerwa, Mike; Lugoloobi, Ishaq; Omidi, Mohammad; Liu, Aimin
Journal: MOLECULAR PHYSICS. 2023; Vol. 121, Issue 1, pp. -. DOI: 10.1080/00268976.2022.2150704
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An analytic global potential energy surface of the CsH2 system and the dynamic calculations of the H plus CsH reaction
Author: Zhang, Yong; Xu, Jiaqiang
Journal: MOLECULAR PHYSICS. 2023; Vol. 121, Issue 1, pp. -. DOI: 10.1080/00268976.2022.2151524
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Physio-chemical properties of HCP(U) and HEX(U) crystal structure lattice via eccentricity dependent chemical invariants
Author: Yun, Zhang; Aslam, Adnan; Kanwal, Salma; Saeed, Saadia; Razzaque, Asima
Journal: MOLECULAR PHYSICS. 2023; Vol. , Issue , pp. -. DOI: 10.1080/00268976.2023.2202267
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Hydrogen bonded configurations in liquid water and their correlations with local tetrahedral structures
Author: Muthachikavil, Aswin V.; Peng, Baoliang; Kontogeorgis, Georgios M.; Liang, Xiaodong
Journal: MOLECULAR PHYSICS. 2023; Vol. , Issue , pp. -. DOI: 10.1080/00268976.2023.2202265
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Atmospheric degradation mechanisms and kinetics for OH-initiated oxidation of trans-beta-ocimene
Author: Du, Benni; Zhang, Weichao
Journal: MOLECULAR PHYSICS. 2023; Vol. 121, Issue 2, pp. -. DOI: 10.1080/00268976.2022.2152747
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The super-exchange interaction between single-atom dimers and clusters increases reactive activity for hydrogen evolution reaction
Author: Shan, Yun; Sun, Xuhao; Zhu, Yuan; Li, Tinghui
Journal: MOLECULAR PHYSICS. 2023; Vol. 121, Issue 2, pp. -. DOI: 10.1080/00268976.2022.2155597
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Integral equation theories for fluid with very short-range screened Coulomb plus power series interactions
Author: Zhou, S.; Solana, J. R.
Journal: MOLECULAR PHYSICS. 2023; Vol. 121, Issue 2, pp. -. DOI: 10.1080/00268976.2022.2157344
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Theoretical study on a series of Blue-Green Ir(III) complexes used in OLED
Author: Chi, Hao-Yuan; Xi, Guo-Qing; Zhao, Xue-Ming; Qu, Shao-Jun; Liu, Xiang; Ji, Ye; Song, Ming-Xing; Zhang, Yong-Ling; Qin, Zheng-Kun; Zhang, Hong-Jie
Journal: MOLECULAR PHYSICS. 2023; Vol. 121, Issue 2, pp. -. DOI: 10.1080/00268976.2022.2157343
