Free Energy Calculations: Theory and Applications in Chemistry and Biology
Theory and Applications in Chemistry and Biology
R 9 845.00
Takealot · checked 9 days ago
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- R 9 845.00
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- 23 Sep 2026
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Description
This volume offers a coherent account of the concepts that underlie different approaches devised for the determination of free energies. It provides insight into the theoretical and computational foundations of the subject and presents relevant applications from molecular-level modeling and simulations of chemical and biological systems. The book is aimed at a broad readership of graduate students and researchers.
Review:
From the reviews: This is a welcome book for computational chemists. ... the book assumes an advanced knowledge of graduate and research-level statistical mechanics. ... The book can be highly recommended to serious practitioners who carry out or plan to carry out, proper liquid-phase simulations of free energy changes or equilibrium constants by the molecular dynamics method. (Donald G. Truhlar, Theoretical Chemistry Accounts, Vol. 121, 2008)
Review:
From the reviews: This is a welcome book for computational chemists. ... the book assumes an advanced knowledge of graduate and research-level statistical mechanics. ... The book can be highly recommended to serious practitioners who carry out or plan to carry out, proper liquid-phase simulations of free energy changes or equilibrium constants by the molecular dynamics method. (Donald G. Truhlar, Theoretical Chemistry Accounts, Vol. 121, 2008)