Journal of Computational Biophysics and Chemistry

Journal of Computational Biophysics and Chemistry

ISSNs: 2737-4165, 2737-4173, 0219-6336, 1793-6888

Additional searchable ISSN (electronic): 2737-4173, 1793-6888

World Scientific Publishing Co. Pte Ltd, Singapore

Scopus rating (2023): CiteScore 3.6 SJR 0.252 SNIP 0.398

Journal

Journal Metrics
1 - 19 out of 19Page size: 20

Research Output

  1. 2014
  2. Published

    Intermolecular π=π and H/π interactions in dimers researched by different computational methods

    Wang, C., Jiang, Y., Zhang, R. & Lin, Z., 25 Nov 2014, In: Journal of Theoretical and Computational Chemistry. 13, 7, 1450057.

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 2
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  3. 2013
  4. Published

    Stable structures and characteristic vibrational spectra of Ti nOm (n = 2-4; m = 1-2n) Clusters

    Du, H., Jia, Y. & Zhang, R., Feb 2013, In: Journal of Theoretical and Computational Chemistry. 12, 1, 1250094.

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 4
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  5. 2012
  6. Published

    A comparative study on intermolecular hydrogen bond interactions in molecular dimers using different levels of computational methods

    Wang, C., Zhang, R. & Lin, Z., Dec 2012, In: Journal of Theoretical and Computational Chemistry. 11, 6, p. 1237-1259

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 10
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  7. Published

    Characteristic vibrational modes of H2O adsorbed molecularly and dissociatively on titanium oxide clusters

    Du, H., De Sarkar, A., Jia, Y. & Zhang, R., Dec 2012, In: Journal of Theoretical and Computational Chemistry. 11, 6, p. 1289-1295

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 2
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  8. 2011
  9. Published

    Ab initio computational investigations on the gas-phase homodimerization and keto-enol tautomerism of the monochalcogenocarboxylic acids CH 3C(=O)XH (X = S, Se, Te)

    Li, Q., Xue, Y., Ren, Y., Wong, N. & Li, W., Feb 2011, In: Journal of Theoretical and Computational Chemistry. 10, 1, p. 41-51

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 2
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  10. 2010

  11. Reexamination of low energy structures of Au4̄ and Au 4

    Gao, Y., Zhao, Y. & Zeng, X. C., 2010, In: Journal of Theoretical and Computational Chemistry. 9, SUPPL. 1, p. 1-7

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 5
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  12. Published

    π-π Interaction in benzene dimer studied using density functional theory augmented with an empirical dispersion term

    Feng, C., Lin, C., Zhang, X. & Zhang, R., 2010, In: Journal of Theoretical and Computational Chemistry. 9, SUPPL. 1, p. 109-123

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 4
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  13. 2009
  14. Published

    Applications of discrete singular convolution algorithm in one-electron systems: Hydrogen atom

    Hu, K., Yu, L. & Zhang, R., Oct 2009, In: Journal of Theoretical and Computational Chemistry. 8, 5, p. 813-826

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 2
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  15. Computer simulation of liquidvapor interfacial tension: Lennard-jones fluid and water revisited

    Wang, J. & Zeng, X. C., Aug 2009, In: Journal of Theoretical and Computational Chemistry. 8, 4, p. 733-763

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 14
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  16. Published

    A nonself-consistent method for the nonequilibrium green's function technique

    Sun, Z. Z., Fan, W. & Zhang, R. Q., Jun 2009, In: Journal of Theoretical and Computational Chemistry. 8, 3, p. 423-431

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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  17. Published

    Sensitivity of hydrogenated silicon nanodot on small polar molecules

    He, M. X., Zhang, R. Q., Niehaus, T. A., Frauenheim, T. & Lee, S. T., Apr 2009, In: Journal of Theoretical and Computational Chemistry. 8, 2, p. 299-316

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 8
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  18. Published

    Theoretical investigation on the reaction mechanism of cui-catalyzed formation of ethyl 2-phenylacetoacetate

    Li, L., Zhang, Y., Tian, A. & Wong, N., 2009, In: Journal of Theoretical and Computational Chemistry. 8, SUPPL. 1, p. 1087-1098

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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  19. 2008
  20. Published

    Intramolecular charge transfer and photoisomerization of the DCM styrene dye: A theoretical study

    Xu, X., Zhang, R., Cao, Z. & Zhang, Q., Aug 2008, In: Journal of Theoretical and Computational Chemistry. 7, 4, p. 719-736

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 11
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  21. Published

    An ab initio study on the structure-cytotoxicity relationship of terpenoid lactones based on the Michael reaction between their pharmacophores and L-cysteine-methylester-1

    Zhang, Z. Q., Chow, R. K. K., Zhou, H. W., Li, J. L. & Cheung, H., Jun 2008, In: Journal of Theoretical and Computational Chemistry. 7, 3, p. 347-356

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 5
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  22. Published

    Quantum chemistry study on the cleavage of methanol catalyzed by hydroxyl ZnO

    Li, L., Wang, Y., Wang, X., Tian, A. & Wong, N., Jun 2008, In: Journal of Theoretical and Computational Chemistry. 7, 3, p. 357-365

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 2
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  23. 2007
  24. Published

    An iteration scheme for calculating transport properties of molecular systems

    Yi, X., Zhang, R., Fan, W. & Zhang, X., Dec 2007, In: Journal of Theoretical and Computational Chemistry. 6, 4, p. 975-984

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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  25. Published

    Theoretical investigation on the activation of ethane via nickel atom catalysis

    Li, L., Liu, J., Shang, J., Wang, X. & Wong, N., Jun 2007, In: Journal of Theoretical and Computational Chemistry. 6, 2, p. 323-330

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 7
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  26. Published

    Exploring the potential energy surface of the catalyzed isomerization of nitrosomethane to formaldoxime

    Liang, G., Ren, Y., Chu, S. & Wong, N., Mar 2007, In: Journal of Theoretical and Computational Chemistry. 6, 1, p. 187-195

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 3
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  27. 2006
  28. Published

    Computation of large systems with an economic basis set: Ab initio calculations of biological nucleic acid base pairs

    Fan, W. & Zhang, R., 2006, In: Journal of Theoretical and Computational Chemistry. 5, SPEC. ISS. 1, p. 411-420

    Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 2
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