International Journal of Quantum Chemistry

International Journal of Quantum Chemistry

ISSNs: 0020-7608

Additional searchable ISSN (Electronic): 1097-461X

JOHN WILEY & SONS INC, United States

Scopus rating (2021): CiteScore 3.9 SJR 0.463 SNIP 0.738

Journal

Journal Metrics

Research Output

  1. 2022
  2. Published

    Thermal decomposition and fire-extinguishing mechanism of N(CF2CF3)3 by ReaxFF-based molecular dynamics simulation and density functional theory calculation

    Tao, N., Cheng, Y., Xing, H., Lo, S., Lu, S. & Zhang, H., 15 Jun 2022, In: International Journal of Quantum Chemistry. 122, 12, e26898.

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

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  3. 2021
  4. Published

    Experimental and ReaxFF-based molecular dynamics studies of the reaction of oxygen with DR-2 as a low global warming potential working fluid

    Tao, N., Cheng, Y., Lu, S., Xing, H., Shahid, M. U., Lo, S. & Zhang, H., 5 Dec 2021, In: International Journal of Quantum Chemistry. 121, 23, e26806.

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

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  5. Published

    Machine learning prediction of the optimal carrier concentration and band gap of quaternary thermoelectric materials via element feature descriptors

    Wan, Z., Wang, Q., Liu, D. & Liang, J., 15 Sep 2021, In: International Journal of Quantum Chemistry. 121, 18, e26752.

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

    Scopus citations: 1
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  6. 2018
  7. Published

    A scheme of numerical solution for three-dimensional isoelectronic series of hydrogen atom using one-dimensional basis functions

    Rahman, F. U., Zhao, R., Sarwono, Y. P. & Zhang, R., 5 Oct 2018, In: International Journal of Quantum Chemistry. 118, 19, e25694.

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

    Scopus citations: 4
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  8. Published

    Design of conjugated microporous polymer nanotubes for efficient benzene molecular adsorptions

    Fan, W., Zhao, Y., Hu, Y., Shi, H., Tan, D. & Zhang, R., 5 Feb 2018, In: International Journal of Quantum Chemistry. 118, 3, e25492.

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

    Scopus citations: 7
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  9. 2017
  10. Published

    A Green's function approach to the nonrelativistic radial wave equation of hydrogen atom

    Ur Rahman, F. & Zhang, R., 5 May 2017, In: International Journal of Quantum Chemistry. 117, 9, e25360.

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

    Scopus citations: 1
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  11. 2015
  12. Published

    Correlation between electron delocalization and structural planarization in small water rings

    Wang, B., Wang, L., Dai, X., Gao, Y., Jiang, W., Han, J., Wang, Z. & 1 others, Zhang, R., 1 Jul 2015, In: International Journal of Quantum Chemistry. 115, 13, p. 817-819

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

    Scopus citations: 5
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  13. Published

    Economical basis sets and their uses in ab initio calculations

    Zhang, R. & Fan, W., 1 May 2015, In: International Journal of Quantum Chemistry. 115, 9, p. 570-577

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

    Scopus citations: 5
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  14. 2009
  15. Published

    Theoretical study on the reactive sites and intramolecular interactions in taxol and its four analogues

    Zhou, H., Zhang, Z. & Cheung, H., 2009, In: International Journal of Quantum Chemistry. 109, 2, p. 362-372

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

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  16. 2008
  17. Published

    Tautomerism of monochalcogenosilanoic acids CH3Si(=O)XH (X = S, Se, Te) in the gas phase and in the polar and aprotic solution: An ab initio computational investigation

    Li, Q., Deng, C., Ren, Y., Wong, N., Chu, S. & Wang, X., Jan 2008, In: International Journal of Quantum Chemistry. 108, 1, p. 142-150

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

    Scopus citations: 2
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  18. 2007
  19. Published

    Theoretical study of molecular interaction between tirapazamine enzymatic catalysis metabolites and water

    LI, L., ZHA, D., ZHENG, Y., WANG, X., TIAN, A. & WONG, N., 2007, In: International Journal of Quantum Chemistry. 107, 2, p. 507-514

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

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  20. 2001
  21. Published

    The properties and possible transformation path for C12B24N24

    Yin, H., Zhang, R., Yang, B., Han, K. & He, G., 15 Aug 2001, In: International Journal of Quantum Chemistry. 84, 3, p. 363-368

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

    Scopus citations: 2
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  22. 1996
  23. Improved scheme to solve the atomic Schrödinger equation in hyperspherical coordinates

    Zhang, R., 1996, In: International Journal of Quantum Chemistry. 59, 3, p. 203-207

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

    Scopus citations: 3
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  24. 1993
  25. Solution of atomic and molecular Schrödinger equation described by hyperspherical coordinates

    Deng, C., Zhang, R. & Feng, D., 1993, In: International Journal of Quantum Chemistry. 45, 4, p. 385-390

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

    Scopus citations: 30
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