0000000000434610

AUTHOR

Barbara Panunzi

showing 2 related works from this author

Iodofluorination of alkenes and alkynes promoted by iodine and 4-iodotoluene difluoride

2006

It was found that a mixt. of mol. iodine and 4-iodotoluene difluoride are useful to generate in situ the electrophilic iodine/nucleophilic fluorine (IF) couple that was able to add in a Markovnikov fashion and with prevalent anti-stereoselectivity to various alkenes and alkynes.

Settore AGR/13 - Chimica AgrariaOrganic ChemistryDifluorideMarkovnikov's ruleHalogenationchemistry.chemical_elementGeneral MedicineIodineBiochemistrychemistryDrug DiscoveryPolymer chemistryOrganic chemistryHypervalent iodineElectrophilic iodinationFluoroiodoalkanesFluoroiodoalkenesTetrahedron Letters
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Vibrational Analysis of Paraelectric–Ferroelectric Transition of LiNbO3: An Ab-Initio Quantum Mechanical Treatment

2021

FSG acknowledges the CINECA award under the ISCRA initiative (HP10BJO47B) for the availability of high-performance computing resources and support.

Phase transitionisotopic substitutionMaterials sciencePhysics and Astronomy (miscellaneous)FerroelectricityCRYSTAL codeGeneral MathematicsIsotopic substitutionAb initioMathematicsofComputing_GENERAL02 engineering and technologyDielectric010402 general chemistry01 natural sciencesCondensed Matter::Materials SciencePhase (matter)Saddle pointComputer Science (miscellaneous)Vibrational mode symmetryQA1-939IR spectrumBasis setCondensed matter physicslithium niobateDFT-simulation:NATURAL SCIENCES::Physics [Research Subject Categories]Lithium niobate021001 nanoscience & nanotechnologyFerroelectricityferroelectricity0104 chemical sciencesHybrid functionalChemistry (miscellaneous)0210 nano-technologyMathematicsSymmetry
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