Reviews in computational chemistry. Volume 31 /

Bibliographic Details
Other Authors:	Parrill, Abby L. (Editor), Lipkowitz, Kenny B. (Editor)
Format:	eBook
Language:	English
Published:	Hoboken, NJ : John Wiley and Sons, Inc., 2019.
Subjects:	Chemistry > Data processing. Chemistry > Mathematics. Cheminformatics. Electronic books.
Online Access:	Connect to the full text of this electronic book

Table of Contents:

Lattice-Boltzmann modeling of multicomponent systems / Ulf D. Schiller and Olga Kuksenok
Mapping energy transport networks in proteins / David M. Leitner and Takahisa Yamato
Uncertainty quantification for molecular dynamics / Paul N. Patrone and Andrew Dientsfrey
The role of computations in catalysis / Horia Metiu, Vishal Agarwal, and Henrik H. Krostoffersen
The construction of ab initio-based potential energy surfaces / Richard Dawes and Ernesto Quintas-Sánchez
Modeling mechanochemistry from first principles / Heather J. Kulik.