Calculation of accurate imaginary frequencies and tunnelling coefficients for hydrogen abstraction reactions using IRCmax

Citation

Coote, M, Collins, M & Radom, L 2003, 'Calculation of accurate imaginary frequencies and tunnelling coefficients for hydrogen abstraction reactions using IRCmax', Molecular Physics, vol. 101, no. 9, pp. 1329-1338.

Year

2003

Field of Research

  • Theoretical And Computational Chemistry Not Elsewhere Classified

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