Concepedia
Applied Catalysis A General · 2014 · 16 citations · 23 references
Chemical EngineeringEthanol DecompositionEngineeringChemical TransformationNatural SciencesReaction MechanismOrganic ChemistryCatalysisComputational ChemistryChemistryQuantum ChemistryHomogeneous CatalysisChemical KineticsCatalytic Synthesis
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A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 53.8K citations
Engineering, Physics, Natural Sciences +11
General atomic and molecular electronic structure system
Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.1K citations
Parallel Calculations, Engineering, Detailed Speecup Results +18
The future of hydrogen – opportunities and challenges☆
M. Ball, Martin Wietschel · International Journal of Hydrogen Energy · 2008 · 1.1K citations
Hydrogen Energy Technology, Chemical Engineering, Hydrogen Production +6
Energy decomposition analysis of covalent bonds and intermolecular interactions
Peifeng Su, Hui Li · The Journal of Chemical Physics · 2009 · 976 citations
Insight into steam reforming of ethanol to produce hydrogen for fuel cells
Prakash D. Vaidya, Alírio E. Rodrigues · Chemical Engineering Journal · 2006 · 629 citations
Hydrogen Energy Technology, Chemical Engineering, Hydrogen Production +8