Illustration of potential energy surface from DFT calculation along with fuzzy logic modelling for optimization of N-acetylglycine
N. Kanagathara, R. Nanmaran
Topics & Concepts
Density functional theoryFuzzy logicGaussianComputationFuzzy setChemistryMoleculePotential energy surfaceBasis setSet (abstract data type)Scheme (mathematics)Statistical physicsComputational chemistryAlgorithmMathematicsPhysicsComputer scienceMathematical analysisArtificial intelligenceOrganic chemistryProgramming languageMolecular Spectroscopy and StructureNonlinear Optical Materials ResearchAdvanced Chemical Physics Studies