QTCOVI – Theoretical and Computational Chemistry
QTCOVI – Theoretical and Computational Chemistry
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Entropy Calculations of Single Molecules by Combining the Rigid-Rotor and Harmonic-Oscillator Approximations with Conformational Entropy Estimations from Molecular Dynamics Simulations
Ernesto Suárez
,
Natalia Díaz
,
Dimas Suárez
January 2011
Source Document
DOI
Type
Journal article
Publication
Journal of Chemical Theory and Computation
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