Song Q - Search Results

1

Modulating the magnetic properties of MoS₂ monolayers by group VIII doping and vacancy engineering.

Jia C, Zhou B, Song Q, Zhang X, Jiang Z. Jia C, et al. Among authors: song q. RSC Adv. 2018 May 23;8(34):18837-18850. doi: 10.1039/c8ra01644e. eCollection 2018 May 22. RSC Adv. 2018. PMID: 35539649 Free PMC article.

2

From orientation disordered to ordered--an ab initio simulation on ammonia borane phase transition within van der Waals corrections.

Song Q, Jiang Z, Zhang Z, Hou Y, Zhang X. Song Q, et al. J Comput Chem. 2015 Jan 5;36(1):22-32. doi: 10.1002/jcc.23762. Epub 2014 Oct 18. J Comput Chem. 2015. PMID: 25327973

3

A theoretical study on the role of ammonium ions in the double-layered V₂O₅ electrode.

Qu Z, Zhou B, Li B, Song Q, Cao YH, Jiang Z. Qu Z, et al. Among authors: song q. Phys Chem Chem Phys. 2021 Feb 25;23(7):4187-4194. doi: 10.1039/d0cp05717g. Phys Chem Chem Phys. 2021. PMID: 33586748

4

Screening of electrode materials for ammonium ion batteries by high throughput calculation.

Han S, Zhang X, Song Q, Zhou B, Fan S. Han S, et al. Among authors: song q. RSC Adv. 2023 Feb 24;13(10):6548-6556. doi: 10.1039/d3ra00284e. eCollection 2023 Feb 21. RSC Adv. 2023. PMID: 36845595 Free PMC article.

5

New schemes for internally contracted multi-reference configuration interaction.

Wang Y, Han H, Lei Y, Suo B, Zhu H, Song Q, Wen Z. Wang Y, et al. Among authors: song q. J Chem Phys. 2014 Oct 28;141(16):164114. doi: 10.1063/1.4898156. J Chem Phys. 2014. PMID: 25362279

6

Enhancing carrier transfer properties of Na-rich anti-perovskites, Na₄OM₂ with tetrahedral anion groups: an evaluation through first-principles computational analysis.

Xu S, Zhao Q, Zhang R, Suo B, Song Q. Xu S, et al. Among authors: song q. Phys Chem Chem Phys. 2024 Jun 26;26(25):17934-17943. doi: 10.1039/d3cp04162j. Phys Chem Chem Phys. 2024. PMID: 38888322

7

New implementation of the configuration-based multi-reference second order perturbation theory.

Lei Y, Wang Y, Han H, Song Q, Suo B, Wen Z. Lei Y, et al. Among authors: song q. J Chem Phys. 2012 Oct 14;137(14):144102. doi: 10.1063/1.4757264. J Chem Phys. 2012. PMID: 23061834

8

GUGA-based MRCI approach with core-valence separation approximation (CVS) for the calculation of the core-excited states of molecules.

Song Q, Liu B, Wu J, Zou W, Wang Y, Suo B, Lei Y. Song Q, et al. J Chem Phys. 2024 Mar 7;160(9):094114. doi: 10.1063/5.0189443. J Chem Phys. 2024. PMID: 38445728

9

Rotor proliferation promotes high-brightness AIE of iridium emitter accomplishing high-contrast luminous imaging of latent fingerprints to level 3 details.

Di L, Jiang Y, Song Q, Sun W, Xing Y, Yang Z, Xia Z, Zhang T, Chen X. Di L, et al. Among authors: song q. Spectrochim Acta A Mol Biomol Spectrosc. 2025 Jan 15;325:125145. doi: 10.1016/j.saa.2024.125145. Epub 2024 Sep 14. Spectrochim Acta A Mol Biomol Spectrosc. 2025. PMID: 39299072

10

Study on the movement mechanism of rice stem under the action of canopy-opening device based on explicit dynamics simulation.

Jing LL, Wei XH, Song Q, Wang F. Jing LL, et al. Among authors: song q. Front Plant Sci. 2023 Oct 24;14:1252247. doi: 10.3389/fpls.2023.1252247. eCollection 2023. Front Plant Sci. 2023. PMID: 37954989 Free PMC article.

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