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
1 - 9 out of 9Page size: 20

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 Reviews › RGC 21 - Publication in refereed journal › peer-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 Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 81
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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 Reviews › RGC 21 - Publication in refereed journal › peer-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 Reviews › RGC 21 - Publication in refereed journal › peer-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 Reviews › RGC 21 - Publication in refereed journal › peer-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 Reviews › RGC 21 - Publication in refereed journal › peer-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 Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 33
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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 Reviews › RGC 21 - Publication in refereed journal › peer-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 Reviews › RGC 21 - Publication in refereed journal › peer-review

    Scopus citations: 14
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