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
2003ANU Authors
Field of Research
- Theoretical And Computational Chemistry Not Elsewhere Classified
