Energy · 2023 · 11 citations · 49 references
Natural SciencesChemical EngineeringChemistryCatalysisPhysical ChemistryReaction EngineeringAb Initio MethodsCatalytic MaterialsDensity Functional TheoryIndustrial CatalysisNitrogen RemovalSupported CatalystsAlkali Metal ChemistryChemical Reduction MechanismsDensity Functional Theory In CatalysisNitrate ReductionNitro ReductionNitrogen Reduction ReactionNox Formation MechanismsNox Oxidation Mechanisms
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VMD: Visual molecular dynamics
William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 43K citations
Revealing Noncovalent Interactions
Erin R. Johnson, Shahar Keinan, Paula Mori‐Sánchez et al. · Journal of the American Chemical Society · 2010 · 9.3K citations
Charge, bond order and valence in the AB initio SCF theory
I. Mayer · Chemical Physics Letters · 1983 · 2.2K citations
Natural Sciences, Chemistry, Physics +14