Welcome to
Wei Zhuang's Homepage
| 1. | W. Zhuang and C. Dellago, "Dissociation of Hydrogen Chloride and Proton Transfer in Liquid Glycerol: An Ab Initio Molecular Dynamics Study". J. Phys. Chem. B. Special Issue "Frank H. Stillinger Festschrift" 2004, 108, 19647-19656. | |
| 2. | D. Abramavicius, W. Zhuang and S. Mukamel, "Peptide Secondary Structure Determination by Three-Pulse Coherent Vibrational Spectroscopies; A Simulation Study," J. Phys. Chem. B, 2004, 108, 18034-18045. | |
| 3. | T. Hayashi, T. Jansen, W. Zhuang, S. Mukamel, "Collective Solvent Coordinates for the Infrared Spectrum of HOD in D2O Based on an Ab Initio Electrostatic Map," J. Phys. Chem. B, 2005, 109, 64-82. | |
| 4. | T. Jansen, W. Zhuang, and S. Mukamel,
"Stochastic Liouville Equation Simulation of Multidimensional
Vibrational Lineshapes of Trialanine," J.
Chem. Phys.
2004,121, 10577-10598. |
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| 5. | W. Zhuang, D. Abramavicius and S. Mukamel "Dissecting Coherent Vibrational Spectra of Small Proteins into Secondary Structural Elements by Sensitivity Analysis" Proceedings of National Academy of Sciences, USA.2005, 102, 7443-7448 | |
| 6. | T. Jansen, T. Hayashi, W Zhuang and S. Mukamel "Stochastic Liouville Equations for Hydrogen-Bonding Fluctuations and Their Signatures in Two-Dimensional Vibrational Spectroscopy of Water" J. Chem. Phys. 2005, 123, 114504-114511. | |
| 7. | S. Mukamel and W. Zhuang "Coherent Femtosecond Multidimensional Probes of Molecular Vibrations" Proceedings of National Academy of Sciences, USA 2005, 102, 13717-13718. (Editorial Material, mini review) | |
| 8. | T. Hayashi, W. Zhuang and S. Mukamel "Electrostatic DFT Map for the Complete Vibrational Amide Band of NMA" J. Phys. Chem. A 2005, 109,9747-9759. | |
| 9. | W.
Zhuang, D. Abramavicius, T. Hayashi and S. Mukamel "Simulation
Protocols for Coherent Femtosecond Vibrational Spectra of Peptides"
J. Phys. Chem. B 2006, 110, 3362-3374. |
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| 10. | D. Abramavicius, W. Zhuang, S. Mukamel "Probing Molecular Chirality via Excitonic Nonlinear Response" J. Phys. B. 39 (2006) 5051–5066. | |
| 11. | W. Zhuang, D. Abramavicius, S. Mukamel "Novel Two-Dimensional Vibrational Optical Probes for Peptide Fast Folding Investigation" Proceedings of National Academy of Sciences.USA (2006) 103 18934–18938 | |
| 12. | V. Volkov, R. Chelli, W. Zhuang, F.Nuti, Y. Takaoka, A. Papini, S. Mukamel and R. Righini "Electrostatic Interactions in Phospholipid Membranes Revealed by Coherent Two-Dimensional Infrared Spectroscopy" (submitted to NATURE) | |
| 13. | W.Zhuang, D. Abramavicius, D.Voronine and S. Mukamel "Discrimination of Structural Models of Amyloid Fibrils Using Two Dimensional Infrared Spectroscopy" (submitted to SCIENCE) | |
| 14. | W. Zhuang, J. Zheng, C. Dellago, M. Fayer and S. Mukamel "Simulating Ultrafast Isomerization 2DIR spectrum using a combined protocol with CPMD, Transition Path Sampling and Stochastic Liouville Equation" (in preparation) | |
| 15. | J.
Wang, W. Zhuang, R. Venkatramani, S. Mukamel and R. Hochstrasser "Simulation
of 2DIR spectrum of Isotope
labeled Tryptophin Zipper 2 hairpin peptide based on a QM/MM modeling
protocol" (in preparation) |
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| 16. | W. Zhuang, R. Venkatramani, J. Wang and S. Mukamel "Simulation Protocols for Coherent Femtosecond Vibrational Spectra of Peptides II" (in preparation). | |
| 17. | T. Hayashi, W. Zhuang, D. Abramavicius and S. Mukamel "Vibrational-Exciton Couplings for Amide I, II, III and A Modes of Peptides" (in preparation) | |
| 18. | W. Zhuang and S. Mukamel "Simulation Study of 2DIR signals for the Photochemically Triggered Azo-peptide Relaxation" (in preparation) | |
| 19. | W. Zhuang, and S. Mukamel "Simulation Protocols for Peptide 2DIR spectroscopy" (review paper) (in preparation). |