Greener Fischer-Tropsch Processes for Fuels and Feedstocks (MAITLIS:FT O-BK) || New Directions, Challenges, and Opportunities
- 作者Maitlis, Peter M.; de Klerk, Arno
- 文件大小147.42KB
- 发表时间2013
- DOI10.1002/9783527656837.ch16
- 页码337-358
Ab initio molecular dynamics simulation of the solvation and transport of hydronium and hydroxyl ions in waterTuckerman, M.; Laasonen, K.; Sprik, M.; Parrinello, M. · The Journal of Chemical Physics · 1995
and Na + ions of sea water in crude oil recovery: DFT and ab initio molecular dynamics simulationsPrabhakar, Sanjay; Melnik, Roderick · Colloids and Surfaces A: Physicochemical and Engineering Aspects · 2017
Ab Initio Molecular Dynamics Simulation of the Solvation and Transport of H3O+ and OH- Ions in WaterTuckerman, Mark; Laasonen, Kari; Sprik, Michiel; Parrinello, Michele · 1995
Energetic and diffusion of liquid water and hydrated ions through nanopores in graphene: Ab-initio molecular dynamics simulationOrellana, Walter; Guerrero, Raúl · Phys. Chem. Chem. Phys. · 2017
Ab Initio Molecular Dynamics Simulation of the Phosphate Ion in Water: Insights into Solvation Shell Structure, Dynamics, and Kosmotropic ActivitySharma, Bikramjit; Chandra, Amalendu · The Journal of Physical Chemistry B · 2017
Ab initio molecular dynamics simulation of supercritical aqueous ionic solutions: Spectral diffusion of water in the vicinity of Br− and I− ionsKarmakar, Anwesa · Journal of Molecular Liquids · 2019
Contact Ion Pairs of Phosphate Groups in Water – Two-Dimensional Infrared Spectroscopy of Dimethyl-Phosphate and Ab-Initio SimulationsSchauss, Jakob; Kundu, Achintya; Fingerhut, Benjamin P.; Elsaesser, Thomas · The Journal of Physical Chemistry Letters · 2019
Mixed Heisenberg chains: II. ThermodynamicsNiggemann, Harald; Uimin, Gennadi; Zittartz, Johannes · Journal of Physics: Condensed Matter · 1998
Cavitation on surfacesBremond, Nicolas; Arora, Manish; Ohl, Claus-Dieter; Lohse, Detlef · Journal of Physics: Condensed Matter · 2005
Anisotropic magnetism in NdCrSb <sub/>3</sub>Inamdar, Manjusha; Thamizhavel, A; Ramakrishnan, S · Journal of Physics: Condensed Matter · 2008
Homogeneous nucleation for superheated crystalIwamatsu, Masao · Journal of Physics: Condensed Matter · 1999
Polar oxide surfacesNoguera, Claudine · Journal of Physics: Condensed Matter · 2000
Supercooled and glassy waterDebenedetti, Pablo G · Journal of Physics: Condensed Matter · 2003
Ferroelectrics go bananasScott, J F · Journal of Physics: Condensed Matter · 2008
Silicon oxidation by ozoneFink, Christian K; Nakamura, Ken; Ichimura, Shingo; Jenkins, Stephen J · Journal of Physics: Condensed Matter · 2009