Theoretical insights into the linear relationship between <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si28.svg"> <mml:mrow> <mml:msub> <mml:mrow> <mml:mi mathvariant="normal">pK</mml:mi> </mml:mrow> <mml:mrow> <mml:mi mathvariant="normal">a</mml:mi> </mml:mrow> </mml:msub> </mml:mrow> </mml:math> values and vibrational frequencies
Mateus Quintano, Elfi Kraka
Topics & Concepts
AnsatzMeasure (data warehouse)ChemistryQuantitative structure–activity relationshipThermodynamicsDelocalized electronWork (physics)Computational chemistryMathematicsPhysical chemistryPhysicsStereochemistryQuantum mechanicsComputer scienceData miningOrganic chemistryFree Radicals and AntioxidantsChemical Reaction MechanismsOrganic Chemistry Cycloaddition Reactions