Journal of Physical Chemistry B

Journal of Physical Chemistry B

ISSNs: 1520-6106, 1520-5207

AMER CHEMICAL SOC, United States

Scopus rating (2021): CiteScore 5.3 SJR 0.795 SNIP 0.911

Journal

Journal Metrics
21 - 40 out of 61Page size: 20

Research Output

  1. 2013

  2. ONIOM (DFT:MM) Study of the catalytic mechanism of myo-inositol monophosphatase: Essential role of water in enzyme catalysis in the two-metal mechanism

    Wang, X. & Hirao, H., 24 Jan 2013, In: Journal of Physical Chemistry B. 117, 3, p. 833-842

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review

    Scopus citations: 9
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  3. 2012

  4. Probing ion/molecule interactions in aqueous solutions with vibrational energy transfer

    Li, J., Bian, H., Wen, X., Chen, H., Yuan, K. & Zheng, J., 11 Oct 2012, In: Journal of Physical Chemistry B. 116, 40, p. 12284-12294

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review

    Scopus citations: 23
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  5. Dynamic behavior of oligomeric inorganic pyrophosphatase explored by quasielastic neutron scattering

    Chu, X., Gajapathy, M., Weiss, K. L., Mamontov, E., Ng, J. D. & Coates, L., 23 Aug 2012, In: Journal of Physical Chemistry B. 116, 33, p. 9917-9921

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review

    Scopus citations: 8
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  6. Pivotal role of water in terminating enzymatic function: A density functional theory study of the mechanism-based inactivation of cytochromes P450

    Hirao, H., Cheong, Z. H. & Wang, X., 12 Jul 2012, In: Journal of Physical Chemistry B. 116, 27, p. 7787-7794

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review

    Scopus citations: 19
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  7. Two-dimensional crystallization of hexagonal bilayer with Moiré patterns

    Chen, Z. G., Xu, Z. P., Zhang, M., Zhou, Y., Liu, M., Patten, T., Liu, G. Y., & 3 othersLi, H., Zeng, X. C. & Tan, L., 12 Apr 2012, In: Journal of Physical Chemistry B. 116, 14, p. 4363-4369

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review

    Scopus citations: 9
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  8. 2011

  9. The effects of protein environment and dispersion on the formation of ferric-superoxide species in myo-inositol oxygenase (MIOX): A combined ONIOM(DFT: MM) and energy decomposition analysis

    Hirao, H., 29 Sep 2011, In: Journal of Physical Chemistry B. 115, 38, p. 11278-11285

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review

    Scopus citations: 25
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  10. 2009

  11. Charge Carrier Dynamics in Metalated Polymers Investigated by Optical-Pump Terahertz-Probe Spectroscopy

    Cunningham, P. D., Michael Hayden, L., Yip, H. & Jen, A. K., 26 Nov 2009, In: Journal of Physical Chemistry B. 113, 47, p. 15427-15432

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review

    Scopus citations: 28
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  12. Modeling the optical behavior of complex organic media: From molecules to materials

    Sullivan, P. A., Rommel, H. L., Takimoto, Y., Hammond, S. R., Bale, D. H., Olbricht, B. C., Liao, Y., & 6 othersRehr, J., Eichingery, B. E., Jen, A. K., Reid, P. J., Dalton, L. R. & Robinson, B. H., 26 Nov 2009, In: Journal of Physical Chemistry B. 113, 47, p. 15581-15588

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review

    Scopus citations: 24
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  13. Molecular Mobility in Self-Assembled Dendritic Chromophore Glasses

    Knorr, Jr., D. B., Zhou, X., Shi, Z., Luo, J., Jang, S., Jen, A. K. & Overney, R. M., 29 Oct 2009, In: Journal of Physical Chemistry B. 113, 43, p. 14180-14188

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review

    Scopus citations: 15
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  14. Proteins remain soft at lower temperatures under pressure

    Chu, X., Faraone, A., Kim, C., Fratini, E., Baglioni, P., Leao, J. B. & Chen, S., 16 Apr 2009, In: Journal of Physical Chemistry B. 113, 15, p. 5001-5006

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review

    Scopus citations: 36
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  15. 2008

  16. Electron-phonon interactions in Ce3+-doped yttrium aluminum garnet nanophosphors

    Su, L. T., Tok, A. I. Y., Zhao, Y., Ng, N., Boey, F. Y. C., Woodhead, J. L. & Summers, C. J., 4 Sep 2008, In: Journal of Physical Chemistry B. 112, 35, p. 10830-10832

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review

    Scopus citations: 15
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  17. Quantum mechanical/molecular mechanical study on the mechanisms of Compound I formation in the catalytic cycle of chloroperoxidase: An overview on heme enzymes

    Chen, H., Hirao, H., Derat, E., Schlichting, I. & Shaik, S., 7 Aug 2008, In: Journal of Physical Chemistry B. 112, 31, p. 9490-9500

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review

    Scopus citations: 54
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  18. The low-temperature dynamic crossover phenomenon in protein hydration water: Simulations vs experiments

    Lagi, M., Chu, X., Kim, C., Mallamace, F., Baglioni, P. & Chen, S., 14 Feb 2008, In: Journal of Physical Chemistry B. 112, 6, p. 1571-1575

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review

    Scopus citations: 81
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  19. 2007

  20. QM/MM study of the active species of the human cytochrome P450 3A4, and the influence thereof of the multiple substrate binding

    Fishelovitch, D., Hazan, C., Hirao, H., Wolfson, H. J., Nussinov, R. & Shaik, S., 13 Dec 2007, In: Journal of Physical Chemistry B. 111, 49, p. 13822-13832

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review

    Scopus citations: 34
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  21. Published

    Three-dimensional nanofabrication with elastomeric phase masks

    Shir, D. J., Jeon, S., Liao, H., Highland, M., Cahill, D. G., Su, M. F., El-Kady, I. F., & 4 othersChristodoulou, C. G., Bogart, G. R., Hamza, A. V. & Rogers, J. A., 15 Nov 2007, In: Journal of Physical Chemistry B. 111, 45, p. 12945-12958

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review

    Scopus citations: 55
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  22. NR transfer reactivity of azo-compound I of P450. How does the nitrogen substituent tune the reactivity of the species toward C-H and C=C activation?

    Moreau, Y., Chen, H., Derat, E., Hirao, H., Bolm, C. & Shaik, S., 30 Aug 2007, In: Journal of Physical Chemistry B. 111, 34, p. 10288-10299

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review

    Scopus citations: 53
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  23. Analysis of the gas states at a liquid/solid interface based on interactions at the microscopic level

    Li, Z., Zhang, X., Zhang, L., Zeng, X., Hu, J. & Fang, H., 9 Aug 2007, In: Journal of Physical Chemistry B. 111, 31, p. 9325-9329

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review

    Scopus citations: 14
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  24. 2006

  25. Structural and magnetic properties of Gd3N@C80

    Lu, J., Sabirianov, R. F., Mei, W. N., Gao, Y., Duan, C. & Zeng, X., 30 Nov 2006, In: Journal of Physical Chemistry B. 110, 47, p. 23637-23640

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review

    Scopus citations: 52
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  26. Effect of apical defects and doped atoms on field emission of boron nitride nanocones

    An, W., Wu, X. & Zeng, X. C., 24 Aug 2006, In: Journal of Physical Chemistry B. 110, 33, p. 16346-16352

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review

    Scopus citations: 22
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  27. Pt-Ru supported on double-walled carbon nanotubes as high-performance anode catalysts for direct methanol fuel cells

    Li, W., Wang, X., Chen, Z., Waje, M. & Yan, Y., 10 Aug 2006, In: Journal of Physical Chemistry B. 110, 31, p. 15353-15358

    Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review

    Scopus citations: 168
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