Interfacing Q-chem and CHARMM to perform QM/MM reaction path calculations

Citation

Woodcock, H, Hodoscek, M, Gilbert, A et al 2007, 'Interfacing Q-chem and CHARMM to perform QM/MM reaction path calculations', Journal of Computational Chemistry, vol. 28, no. 9, pp. 1485-1502.

Year

2007

ANU Authors

Field of Research

  • Quantum Chemistry

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