Journal of Physical Chemistry A

Journal of Physical Chemistry A

ISSNs: 1089-5639, 1520-5215

American Chemical Society, United States

Scopus rating (2021): CiteScore 4.6 SJR 0.656 SNIP 0.863

Journal

Journal Metrics

Research Output

  1. 2011
  2. Which DFT functional performs well in the calculation of methylcobalamin? Comparison of the B3LYP and BP86 functionals and evaluation of the impact of empirical dispersion correction

    Hirao, H., 25 Aug 2011, In: Journal of Physical Chemistry A. 115, 33, p. 9308-9313

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

    Scopus citations: 76
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  3. Published

    Doping effects on structural and electronic properties of ladderanes and ladder polysilanes: A density functional theory investigation

    Wang, X., Lau, K. & Li, W., 7 Jul 2011, In: Journal of Physical Chemistry A. 115, 26, p. 7656-7663

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

    Scopus citations: 3
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  4. Mapping molecular conformations with multiple-mode two-dimensional infrared spectroscopy

    Bian, H., Li, J., Wen, X., Sun, Z., Song, J., Zhuang, W. & Zheng, J., 21 Apr 2011, In: Journal of Physical Chemistry A. 115, 15, p. 3357-3365

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

    Scopus citations: 34
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  5. Published

    Electronic spectra and crystal field analysis of energy levels of Ho 3+ in HoF 6 3-

    Tanner, P. A., Faucher, M. D. & Zhou, X., 31 Mar 2011, In: Journal of Physical Chemistry A. 115, 12, p. 2557-2567

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

    Scopus citations: 11
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  6. Published

    Theoretical study of the crystal-field energy levels and two-photon absorption intensities of Tb3+ in cubic host lattices

    Duan, C. & Tanner, P. A., 17 Mar 2011, In: Journal of Physical Chemistry A. 115, 10, p. 1922-1932

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

    Scopus citations: 6
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  7. Published

    High-level ab initio predictions for the ionization energies and heats of formation of five-membered-ring molecules: Thiophene, furan, pyrrole, 1,3-cyclopentadiene, and borole, C4H4X/C4H 4X+ (X = S, O, NH, CH2, and BH)

    Lo, P. & Lau, K., 10 Feb 2011, In: Journal of Physical Chemistry A. 115, 5, p. 932-939

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

    Scopus citations: 14
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  8. 2010
  9. Published

    Mechanistic insight into the gas-phase reactions of methylamine with ground state Co+(3F) and Ni+(2D)

    Lu, X., Wei, S., Guo, W. & Wu, C. L., 2 Dec 2010, In: Journal of Physical Chemistry A. 114, 47, p. 12490-12497

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

    Scopus citations: 3
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  10. Excited-state intramolecular proton transfer (ESIPT) fine tuned by quinoline-pyrazole isomerism: π-conjugation effect on ESIPT

    Chung, M., Lin, T., Hsieh, C., Tang, K., Fu, H., Chou, P., Yang, S. & 1 others, Chi, Y., 5 Aug 2010, In: Journal of Physical Chemistry A. 114, 30, p. 7886-7891

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

    Scopus citations: 65
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  11. Published

    Bond dissociation energies of solvated silver(I)-amide complexes: Competitive threshold collision-induced dissociations and calculations

    Romanov, V., Siu, C., Verkerk, U. H., Hopkinson, A. C. & Siu, K. W. M., 8 Jul 2010, In: Journal of Physical Chemistry A. 114, 26, p. 6964-6971

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

    Scopus citations: 17
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  12. Published

    Bond Dissociation Energies of Solvated Silver(I)−Amide Complexes: Competitive Threshold Collision-Induced Dissociations and Calculations

    Romanov, V., SIU, C., Verkerk, U. H., Hopkinson, A. C. & Siu, K. W. M., 15 Jun 2010, In: Journal of Physical Chemistry A. 144, 26, p. 6964 - 6971

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

    Scopus citations: 17
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  13. Published

    What use are crystal field parameters? A chemist's viewpoint

    Duan, C. & Tanner, P. A., 20 May 2010, In: Journal of Physical Chemistry A. 114, 19, p. 6055-6062

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

    Scopus citations: 84
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  14. Electrospray mass spectrometry studies of purified aluminum tridecamer in a 50: 50 water/acetonitrile mixture

    Lin, Y. & Lee, D., 18 Mar 2010, In: Journal of Physical Chemistry A. 114, 10, p. 3503-3509

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

    Scopus citations: 17
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  15. Ab initio prediction of amorphous B84

    Shang, B., Yuan, L., Zeng, X. C. & Yang, J., 18 Feb 2010, In: Journal of Physical Chemistry A. 114, 6, p. 2245-2249

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

    Scopus citations: 27
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  16. Published

    DFT/TD-DFT investigation of electronic structures and spectra properties of Cu-based dye sensitizers

    Lu, X., Wu, C. L., Wei, S. & Guo, W., 21 Jan 2010, In: Journal of Physical Chemistry A. 114, 2, p. 1178-1184

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

    Scopus citations: 38
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  17. Effects of the polymorphic transformation of glutaric acid particles on their deliquescence and hygroscopic properties

    Yeung, M. C., Ling, T. Y. & Chan, C. K., 21 Jan 2010, In: Journal of Physical Chemistry A. 114, 2, p. 898-903

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

    Scopus citations: 23
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  18. Published

    Cooperative effect of solvent in the neutral hydration of ketenimine: An ab initio study using the hybrid cluster/Continuum model

    Sun, X., Wei, X., Wu, X., Ren, Y., Wong, N. & Li, W., 14 Jan 2010, In: Journal of Physical Chemistry A. 114, 1, p. 595-602

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

    Scopus citations: 25
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  19. 2009
  20. Published

    High-level ab initio predictions for the ionization energy, bond dissociation energies, and heats of formations of iron carbide (FeC) and its cation (FeC+)

    Lau, K., Chang, Y., Lam, C. & Ng, C. Y., 31 Dec 2009, In: Journal of Physical Chemistry A. 113, 52, p. 14321-14328

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

    Scopus citations: 30
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  21. Search for Lowest-Energy Nonclassical Fullerenes III: C22

    Killblane, C., Gao, Y., Shao, N. & Zeng, X. C., 6 Aug 2009, In: Journal of Physical Chemistry A. 113, 31, p. 8839-8844

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

    Scopus citations: 18
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  22. Published

    Conformation-Specific Pathways of β-Alanine: A Vacuum Ultraviolet Photoionization and Theoretical Study

    Zhang, L., Pan, Y., Guo, H., Zhang, T., Sheng, L., Qi, F., Lo, P. & 1 others, Lau, K., 21 May 2009, In: Journal of Physical Chemistry A. 113, 20, p. 5838-5845

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

    Scopus citations: 18
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  23. Ab initio study of structural, electronic, and magnetic properties of V n (C 60) m Complexes

    Zhang, X., Wang, J. & Zeng, X. C., 7 May 2009, In: Journal of Physical Chemistry A. 113, 18, p. 5406-5413

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

    Scopus citations: 15
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