Development and application of ab initio qm/mm methods for mechanistic simulation of reactions in solution and in enzymes
Publication
, Journal Article
Hu, H; Yang, WT
Published in: Journal of Molecular Structure-Theochem
2009
Duke Scholars
Published In
Journal of Molecular Structure-Theochem
Publication Date
2009
Volume
898
Issue
1-3
Start / End Page
17 / 30
Related Subject Headings
- 3407 Theoretical and computational chemistry
- 3406 Physical chemistry
- 0307 Theoretical and Computational Chemistry
- 0306 Physical Chemistry (incl. Structural)
Citation
APA
Chicago
ICMJE
MLA
NLM
Hu, H., & Yang, W. T. (2009). Development and application of ab initio qm/mm methods for mechanistic simulation of reactions in solution and in enzymes. Journal of Molecular Structure-Theochem, 898(1–3), 17–30.
Hu, H., and W. T. Yang. “Development and application of ab initio qm/mm methods for mechanistic simulation of reactions in solution and in enzymes.” Journal of Molecular Structure-Theochem 898, no. 1–3 (2009): 17–30.
Hu H, Yang WT. Development and application of ab initio qm/mm methods for mechanistic simulation of reactions in solution and in enzymes. Journal of Molecular Structure-Theochem. 2009;898(1–3):17–30.
Hu, H., and W. T. Yang. “Development and application of ab initio qm/mm methods for mechanistic simulation of reactions in solution and in enzymes.” Journal of Molecular Structure-Theochem, vol. 898, no. 1–3, 2009, pp. 17–30.
Hu H, Yang WT. Development and application of ab initio qm/mm methods for mechanistic simulation of reactions in solution and in enzymes. Journal of Molecular Structure-Theochem. 2009;898(1–3):17–30.
Published In
Journal of Molecular Structure-Theochem
Publication Date
2009
Volume
898
Issue
1-3
Start / End Page
17 / 30
Related Subject Headings
- 3407 Theoretical and computational chemistry
- 3406 Physical chemistry
- 0307 Theoretical and Computational Chemistry
- 0306 Physical Chemistry (incl. Structural)