Shuai Z - Search Results

1

Quantum-electrodynamical time-dependent density functional theory within Gaussian atomic basis.

Yang J, Ou Q, Pei Z, Wang H, Weng B, Shuai Z, Mullen K, Shao Y. Yang J, et al. Among authors: shuai z. J Chem Phys. 2021 Aug 14;155(6):064107. doi: 10.1063/5.0057542. J Chem Phys. 2021. PMID: 34391367 Free PMC article.

2

Three-photon absorption in anthracene-porphyrin-anthracene triads: a quantum-chemical study.

Zhu L, Yang X, Yi Y, Xuan P, Shuai Z, Chen D, Zojer E, Brédas JL, Beljonne D. Zhu L, et al. Among authors: shuai z. J Chem Phys. 2004 Dec 8;121(22):11060-7. doi: 10.1063/1.1813437. J Chem Phys. 2004. PMID: 15634057

3

Excited state radiationless decay process with Duschinsky rotation effect: formalism and implementation.

Peng Q, Yi Y, Shuai Z, Shao J. Peng Q, et al. Among authors: shuai z. J Chem Phys. 2007 Mar 21;126(11):114302. doi: 10.1063/1.2710274. J Chem Phys. 2007. PMID: 17381201

4

Charge transfer rates in organic semiconductors beyond first-order perturbation: from weak to strong coupling regimes.

Nan G, Wang L, Yang X, Shuai Z, Zhao Y. Nan G, et al. Among authors: shuai z. J Chem Phys. 2009 Jan 14;130(2):024704. doi: 10.1063/1.3055519. J Chem Phys. 2009. PMID: 19154047 Free article.

5

Nonperturbative time-convolutionless quantum master equation from the path integral approach.

Nan G, Shi Q, Shuai Z. Nan G, et al. Among authors: shuai z. J Chem Phys. 2009 Apr 7;130(13):134106. doi: 10.1063/1.3108521. J Chem Phys. 2009. PMID: 19355716

6

First-principles investigation of organic semiconductors for thermoelectric applications.

Wang D, Tang L, Long M, Shuai Z. Wang D, et al. Among authors: shuai z. J Chem Phys. 2009 Dec 14;131(22):224704. doi: 10.1063/1.3270161. J Chem Phys. 2009. PMID: 20001073

7

Theoretical predictions of red and near-infrared strongly emitting X-annulated rylenes.

Peng Q, Niu Y, Wang Z, Jiang Y, Li Y, Liu Y, Shuai Z. Peng Q, et al. Among authors: shuai z. J Chem Phys. 2011 Feb 21;134(7):074510. doi: 10.1063/1.3549143. J Chem Phys. 2011. PMID: 21341862 Free PMC article.

8

Theoretical study of substitution effects on molecular reorganization energy in organic semiconductors.

Geng H, Niu Y, Peng Q, Shuai Z, Coropceanu V, Brédas JL. Geng H, et al. Among authors: shuai z. J Chem Phys. 2011 Sep 14;135(10):104703. doi: 10.1063/1.3632105. J Chem Phys. 2011. PMID: 21932914

9

Aggregation induced blue-shifted emission--the molecular picture from a QM/MM study.

Wu Q, Zhang T, Peng Q, Wang D, Shuai Z. Wu Q, et al. Among authors: shuai z. Phys Chem Chem Phys. 2014 Mar 28;16(12):5545-52. doi: 10.1039/c3cp54910k. Epub 2014 Feb 7. Phys Chem Chem Phys. 2014. PMID: 24509542

10

Electron-phonon couplings and carrier mobility in graphynes sheet calculated using the Wannier-interpolation approach.

Xi J, Wang D, Yi Y, Shuai Z. Xi J, et al. Among authors: shuai z. J Chem Phys. 2014 Jul 21;141(3):034704. doi: 10.1063/1.4887538. J Chem Phys. 2014. PMID: 25053331

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