Reviews in computational chemistry. Volume 31 / edited by Abby L. Parrill and Kenny B. Lipkowitz.
Material type:
TextPublisher: Hoboken, NJ : John Wiley and Sons, Inc., 2019Description: 1 online resourceContent type: - text
- computer
- online resource
- 9781119518051
- 1119518059
- 9781119518068
- 1119518067
- 542.85 23
- QD39.3.E46 R48 vol. 31
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.
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