Comparative study of various normal mode analysis techniques based on partial Hessians
- Author
- An Ghysels (UGent) , Veronique Van Speybroeck (UGent) , Ewald Pauwels (UGent) , Saron Catak (UGent) , Bernard R Brooks, Dimitri Van Neck (UGent) and Michel Waroquier (UGent)
- Organization
- Project
- Keywords
- partial Hessian, PHVA, Hessian, NMA, normal modes, vibrational modes, mobile block Hessian, MBH, vibrational subsystem analysis, VSA, RTB, partial optimization, LAO binding protein, cinchona
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Please use this url to cite or link to this publication: http://hdl.handle.net/1854/LU-830997
- MLA
- Ghysels, An, et al. “Comparative Study of Various Normal Mode Analysis Techniques Based on Partial Hessians.” JOURNAL OF COMPUTATIONAL CHEMISTRY, vol. 31, no. 5, 2010, pp. 994–1007, doi:10.1002/jcc.21386.
- APA
- Ghysels, A., Van Speybroeck, V., Pauwels, E., Catak, S., Brooks, B. R., Van Neck, D., & Waroquier, M. (2010). Comparative study of various normal mode analysis techniques based on partial Hessians. JOURNAL OF COMPUTATIONAL CHEMISTRY, 31(5), 994–1007. https://doi.org/10.1002/jcc.21386
- Chicago author-date
- Ghysels, An, Veronique Van Speybroeck, Ewald Pauwels, Saron Catak, Bernard R Brooks, Dimitri Van Neck, and Michel Waroquier. 2010. “Comparative Study of Various Normal Mode Analysis Techniques Based on Partial Hessians.” JOURNAL OF COMPUTATIONAL CHEMISTRY 31 (5): 994–1007. https://doi.org/10.1002/jcc.21386.
- Chicago author-date (all authors)
- Ghysels, An, Veronique Van Speybroeck, Ewald Pauwels, Saron Catak, Bernard R Brooks, Dimitri Van Neck, and Michel Waroquier. 2010. “Comparative Study of Various Normal Mode Analysis Techniques Based on Partial Hessians.” JOURNAL OF COMPUTATIONAL CHEMISTRY 31 (5): 994–1007. doi:10.1002/jcc.21386.
- Vancouver
- 1.Ghysels A, Van Speybroeck V, Pauwels E, Catak S, Brooks BR, Van Neck D, et al. Comparative study of various normal mode analysis techniques based on partial Hessians. JOURNAL OF COMPUTATIONAL CHEMISTRY. 2010;31(5):994–1007.
- IEEE
- [1]A. Ghysels et al., “Comparative study of various normal mode analysis techniques based on partial Hessians,” JOURNAL OF COMPUTATIONAL CHEMISTRY, vol. 31, no. 5, pp. 994–1007, 2010.
@article{830997, author = {{Ghysels, An and Van Speybroeck, Veronique and Pauwels, Ewald and Catak, Saron and Brooks, Bernard R and Van Neck, Dimitri and Waroquier, Michel}}, issn = {{0192-8651}}, journal = {{JOURNAL OF COMPUTATIONAL CHEMISTRY}}, keywords = {{partial Hessian,PHVA,Hessian,NMA,normal modes,vibrational modes,mobile block Hessian,MBH,vibrational subsystem analysis,VSA,RTB,partial optimization,LAO binding protein,cinchona}}, language = {{eng}}, number = {{5}}, pages = {{994--1007}}, title = {{Comparative study of various normal mode analysis techniques based on partial Hessians}}, url = {{http://doi.org/10.1002/jcc.21386}}, volume = {{31}}, year = {{2010}}, }
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