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Suárez E, Díaz N, Suárez D. Entropy Calculations of Single Molecules by Combining the Rigid-Rotor and Harmonic-Oscillator Approximations with Conformational Entropy Estimations from Molecular Dynamics Simulations. J Chem Theory Comput. 2011;7(8):2638-53doi: 10.1021/ct200216n.
Suárez, E., Díaz, N., & Suárez, D. (2011). Entropy Calculations of Single Molecules by Combining the Rigid-Rotor and Harmonic-Oscillator Approximations with Conformational Entropy Estimations from Molecular Dynamics Simulations. Journal of chemical theory and computation, 7(8), 2638-53. https://doi.org/10.1021/ct200216n
Suárez, Ernesto, et al. "Entropy Calculations of Single Molecules by Combining the Rigid-Rotor and Harmonic-Oscillator Approximations with Conformational Entropy Estimations from Molecular Dynamics Simulations." Journal of chemical theory and computation vol. 7,8 (2011): 2638-53. doi: https://doi.org/10.1021/ct200216n
Suárez E, Díaz N, Suárez D. Entropy Calculations of Single Molecules by Combining the Rigid-Rotor and Harmonic-Oscillator Approximations with Conformational Entropy Estimations from Molecular Dynamics Simulations. J Chem Theory Comput. 2011 Aug 09;7(8):2638-53. doi: 10.1021/ct200216n. Epub 2011 Jul 18. PMID: 26606637.
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