Shaoyu Lu - Publications

LIST OF PUBLICATIONS

1. Axial H-bonding Solvent Controls Inhomogeneous Spectral Broadening, Peripherial H-bonding Solvent Controls Vibronic Broadening: Cresyl Violet in Methanol Christopher A. Myers, Shao-Yu Lu, Sapana Shedge, Arthur Pyuskulyan, Katherine Donahoe, Ajay Khanna, Liang Shi, and Christine M. Isborn, J. Phys. Chem. B. 2024, IF:3.300 Link
2. Comparison of linear response theory, projected initial maximum overlap method, and trajectory based vibronic spectra: the case of methylene blue
  Ali Abou Taka, Shao-Yu Lu, Duncan Gowland, Tim J. Zuehlsdorff, Hector Corzo, Aurora Pribram-Jones, Liang Shi, Hrant P. Hratchian, and Christine M. Isborn, J. Chem. Theory Comput. 2022, 18, 3039 IF:6.800 Link
3. The influence of electronic polarization in nonlinear optical spectroscopy
  Shao-Yu Lu, Tim J. Zuehlsdorff, Hanbo Hong, Vincent P. Aguirre, Liang Shi, and Christine M. Isborn, J. Phys. Chem. B. 2021, 125, 12214. IF:2.991 Link
4. Vibronic and environmental effects in simulations of optical spectroscopy
  Tim J. Zuehlsdorff, Sapana V. Shedge, Shao-Yu Lu, Hanbo Hong, Vincent P. Aguirre, Liang Shi, and Christine M. Isborn, Annu. Rev. Phys. Chem. 2021, 72, 7.2-24. IF:12.703 Link
5. Virtual screening of hole transport, electron transport, and host layers for effective OLED design
  Shao-Yu Lu, Sukrit Mukhopadhyay, Robert Froese, and Paul M. Zimmerman, J. Chem. Inf. Model 2018, 58(12), 2440. IF:5.020 Link
6. Quantum computer simulation of surface chemical reactions and vibration
  Jyh-Shing Lin, Shao-Yu Lu, Yung-Ting Lee, Impact, 2018, 11, 69-71. Link
7. Ab-initio molecular dynamics study for C-Br dissociation within BrH2C-CC (ads) adsorbed on Ag (111): A short-time Fourier transform approach
  Shao-Yu Lu, Jyh-Shing Lin, Res. Chem. Inter. 2017, 43, 6, 3505. IF:2.914 Link
8. A nano Ag5 cluster tip probing the vertical transfer of CO (ads) adsorbed on Ag (110) with simulated inelastic electron tunneling spectroscopy
  Shao-Yu Lu, Jyh-Shing Lin, RSC Advanced, 2015, 5, 64682. IF:3.361 Link
9. Temperature effects on adsorption and diffusion dynamics of adsorption and diffusion dynamics of CH3CH2(ads) and H3C-C≡C(ads) on Ag(111) surface and their self-coupling reactions: Ab initio molecular dynamics approach
  Shao-Yu Lu, Jyh-Shing Lin, J. Chem. Phys. 2014, 140, 024706. IF:3.488 Link
10. Chemical mechanism of surface-enhanced Raman scattering spectrum of pyridine adsorbed on Ag cluster: Ab initio molecular dynamics approach
  Jen-Ping Su, Yung-Ting Lee, Shao-Yu Lu, and Jyh-Shing Lin, J. Comp. Chem. 2013, 34, 2806. (Highlighted in the journal inside cover). IF:3.376 Link
11. Temperature dependence of vibrational modes of CH3-C≡C(ads) and I(ads) coadsorbed on Ag(111): Ab initio molecular dynamics approach
  Jyh-Shing Lin, Po-Jung Tseng, Shao-Yu Lu and Wen-Chi Chou, J. Comp. Chem. 2012, 33, 13, 1274-1283 (Highlighted in the journal cover). IF:3.376 Link
12. DFT study of self-coupling reaction of CF2(ads) coadsorbed on Cu (111) surface for forming CF2=CF2(g)
  Jyh-Shing Lin, Shao-Yu Lu and Wen-Chi Chou, Surface Science, 2011, 605, 131-137. IF:1.942 Link
13. Density Functional Study of the Interfacial Electron Transfer Pathway for MonolayerAdsorbed InN on the TiO2 Anatase (101) Surface
  Jyh-Shing Lin, Wen-Chi Chou, Shao-Yu Lu, Geng-Jya Jang, Bo-Rung Tseng, Yung-Ting Lee, J. Phys. Chem. B, 2006, 110(46), 2346023466. IF:2.991 Link

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