Theoretical Chemistry Accounts

Theoretical Chemistry Accounts

ISSNs: 1432-881X, 0040-5744

Additional searchable ISSN (electronic): 1432-2234

Springer, Germany

Scopus rating (2023): CiteScore 3.4 SJR 0.345 SNIP 0.573

Journal

Journal Metrics

Research Output

  1. 2020
  2. Published

    Engineering the excited state of graphitic carbon nitride nanostructures by covalently bonding with graphene quantum dots

    Chen, S., Ullah, N. & Zhang, R., Feb 2020, In: Theoretical Chemistry Accounts. 139, 2, 20.

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

    Scopus citations: 12
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  3. 2014
  4. Published

    Valorisation of food waste to biofuel: current trends and technological challenges

    Karmee, S. K. & Lin, C. S. K., 2014, In: Theoretical Chemistry Accounts. 2, 1

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

    Scopus citations: 80
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  5. 2011
  6. Published

    Theoretical study of the gas-phase Fe+-mediated oxidation of ethane by N2O

    Zhao, L., Guo, W., Liu, Z., Li, Y. & Lu, X., 2011, In: Theoretical Chemistry Accounts. 128, 3, p. 349-358

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

    Scopus citations: 7
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  7. 2010
  8. Published

    Theoretical study on the role of cooperative solvent molecules in the neutral hydrolysis of ketene

    Wu, X., Wei, X., Sun, X., Ren, Y., Wong, N. & Li, W., Nov 2010, In: Theoretical Chemistry Accounts. 127, 5, p. 493-506

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

    Scopus citations: 16
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  9. 2008
  10. Published

    Computation of large systems with an economic basis set: Systems in excited states

    Li, Q. S. & Zhang, R. Q., Apr 2008, In: Theoretical Chemistry Accounts. 119, 5-6, p. 437-443

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

    Scopus citations: 4
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  11. Published

    Counter-ion effect in the nucleophilic substitution reactions at silicon: A G2M(+) level theoretical investigation

    Ren, Y., Wang, X., Chu, S. & Wong, N., Mar 2008, In: Theoretical Chemistry Accounts. 119, 4, p. 407-411

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

    Scopus citations: 8
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  12. 2004
  13. Published

    A scheme for the economical use of numerical basis sets in calculations with SIESTA

    Zhang, R. Q., Zhang, Q. Z. & Zhao, M. W., Jul 2004, In: Theoretical Chemistry Accounts. 112, 3, p. 158-162

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

    Scopus citations: 32
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  14. 2003
  15. Published

    A thermodynamic and kinetic study of the formation of C20 compounds encapsulating H, He and Ne atoms

    Zhang, R. Q., Ma, W. Y., Han, K. L. & Lee, C. S., 1 Jun 2003, In: Theoretical Chemistry Accounts. 109, 5, p. 278-283

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

    Scopus citations: 6
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  16. 2002
  17. Published

    Theoretical study on the substituent effect of a Wittig reaction

    Lu, W. C., Wong, N. B. & Zhang, R. Q., 2002, In: Theoretical Chemistry Accounts. 107, 4, p. 206-210

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

    Scopus citations: 14
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