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Organic Semiconducting Alloys with Tunable Energy Levels.
Dou JH, Yu ZA, Zhang J, Zheng YQ, Yao ZF, Tu Z, Wang X, Huang S, Liu C, Sun J, Yi Y, Cao X, Gao Y, Wang JY, Pei J. Dou JH, et al. Among authors: liu c. J Am Chem Soc. 2019 Apr 24;141(16):6561-6568. doi: 10.1021/jacs.8b13471. Epub 2019 Mar 12. J Am Chem Soc. 2019. PMID: 30810311
Accurate description of molecular dipole surface with charge flux implemented for molecular mechanics.
Yang X, Liu C, Walker BD, Ren P. Yang X, et al. Among authors: liu c. J Chem Phys. 2020 Aug 14;153(6):064103. doi: 10.1063/5.0016376. J Chem Phys. 2020. PMID: 35287459 Free PMC article.
Our previous inclusion of geometry dependent charge flux into the atomic multipole-based polarizable AMOEBA+ force field has shown significant improvement of water properties from gaseous to condensed phases [C. Liu et al., J. Phys. Chem. Lett. 11(2), 419-426 (2020) …
Our previous inclusion of geometry dependent charge flux into the atomic multipole-based polarizable AMOEBA+ force field has shown significa …
Computational Investigation of a Series of Small Molecules as Potential Compounds for Lysyl Hydroxylase-2 (LH2) Inhibition.
Maghsoud Y, Vázquez-Montelongo EA, Yang X, Liu C, Jing Z, Lee J, Harger M, Smith AK, Espinoza M, Guo HF, Kurie JM, Dalby KN, Ren P, Cisneros GA. Maghsoud Y, et al. Among authors: liu c. J Chem Inf Model. 2023 Feb 13;63(3):986-1001. doi: 10.1021/acs.jcim.2c01448. Epub 2023 Jan 30. J Chem Inf Model. 2023. PMID: 36779232 Free PMC article.
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