Zhang DH - Search Results

1

Accurate calculation of tunneling splittings in water clusters using path-integral based methods.

Zhu YC, Yang S, Zeng JX, Fang W, Jiang L, Zhang DH, Li XZ. Zhu YC, et al. Among authors: zhang dh. J Chem Phys. 2023 Jun 14;158(22):220901. doi: 10.1063/5.0146562. J Chem Phys. 2023. PMID: 37290067 Review.

2

Torsional Tunneling Splitting in a Water Trimer.

Zhu YC, Yang S, Zeng JX, Fang W, Jiang L, Zhang DH, Li XZ. Zhu YC, et al. Among authors: zhang dh. J Am Chem Soc. 2022 Nov 23;144(46):21356-21362. doi: 10.1021/jacs.2c09909. Epub 2022 Nov 9. J Am Chem Soc. 2022. PMID: 36350126

3

Quantum dynamics reveal different ligand effects by vibrational excitation in the dissociative chemisorption of HCl on the Au/Ag(111) surface.

Liu T, Shi H, Fu B, Zhang DH. Liu T, et al. Among authors: zhang dh. J Chem Phys. 2022 Dec 28;157(24):244702. doi: 10.1063/5.0131503. J Chem Phys. 2022. PMID: 36586991

4

A highly accurate full-dimensional ab initio potential surface for the rearrangement of methylhydroxycarbene (H₃C-C-OH).

Wang HD, Fu YL, Fu B, Fang W, Zhang DH. Wang HD, et al. Among authors: zhang dh. Phys Chem Chem Phys. 2023 Mar 15;25(11):8117-8127. doi: 10.1039/d3cp00312d. Phys Chem Chem Phys. 2023. PMID: 36876923

5

Semiclassical Vibrational Spectroscopy of Real Molecular Systems by Means of Cross-Correlation Filter Diagonalization.

Zeng JX, Yang S, Zhu YC, Fang W, Jiang L, Wang EG, Zhang DH, Li XZ. Zeng JX, et al. Among authors: zhang dh. J Phys Chem A. 2023 Apr 6;127(13):2902-2911. doi: 10.1021/acs.jpca.3c00576. Epub 2023 Mar 22. J Phys Chem A. 2023. PMID: 36949622

6

Quantum Tunneling in Peroxide O-O Bond Breaking Reaction.

Zhou Y, Fang W, Wang L, Zeng X, Zhang DH, Zhou M. Zhou Y, et al. Among authors: zhang dh. J Am Chem Soc. 2023 Apr 26;145(16):8817-8821. doi: 10.1021/jacs.3c02750. Epub 2023 Apr 18. J Am Chem Soc. 2023. PMID: 37070757

7

Mode specificity of water dissociating on Ni(100): An approximate full-dimensional quantum dynamics study.

Liu T, Fu B, Zhang DH. Liu T, et al. Among authors: zhang dh. J Chem Phys. 2023 Jun 7;158(21):214305. doi: 10.1063/5.0153538. J Chem Phys. 2023. PMID: 37272570

8

Neural network potential energy surfaces and dipole moment surfaces for SO₂(H₂O) and SO₂(H₂O)₂ complexes.

Fu L, Yang S, Zhang DH. Fu L, et al. Among authors: zhang dh. Phys Chem Chem Phys. 2023 Aug 30;25(34):22804-22812. doi: 10.1039/d3cp03113f. Phys Chem Chem Phys. 2023. PMID: 37584113

9

Feshbach resonances in the F + CHD₃ → HF + CD₃ reaction.

Liu S, Chen J, Zhang X, Zhang DH. Liu S, et al. Among authors: zhang dh, zhang x. Chem Sci. 2023 Jun 24;14(29):7973-7979. doi: 10.1039/d3sc02629a. eCollection 2023 Jul 26. Chem Sci. 2023. PMID: 37502322 Free PMC article.

10

Full-dimensional neural network potential energy surface and dynamics of the CH₂OO + H₂O reaction.

Wu H, Fu Y, Dong W, Fu B, Zhang DH. Wu H, et al. Among authors: zhang dh. RSC Adv. 2023 May 2;13(20):13397-13404. doi: 10.1039/d3ra02069j. eCollection 2023 May 2. RSC Adv. 2023. PMID: 37143908 Free PMC article.

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