14 Oct 2024
and calculating their geometric centers. Based on this information, dummy atom profiles are generated to assist in calculating the strengths current in the molecular rings. #LatinXChem24 #LatinXChemComp #Comp082 #Aromaticity @theochemmerida
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16 Oct 2023
Hi @LatinXChem community, presenting my work 'Theoretical determination of electronic properties of resorcinol and hydroquinone as building blocks of molecular wires' at #LatinXChem23 #LatinXChemComp #Comp082
@ChemRxiv @digital_rsc @PCCP @LufacIDT.
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28 Nov 2022
Hi @Latinxchem, this is my work on the molecular, electronic and spectroscopic properties of rosmarinic acid.
#LatinXChem22
#LXChemComp
#Comp082
#DFT
@GberEmmanuel @CompBioSim_NG
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20 Sep 2021
Hi @LatinXChem, this is my work 'Donor-Acceptor Properties of Ligands from the Effective Fragment Orbitals', #LatinXChem #LXChemComp #Comp082 @pesalse @polvehi97 @IQCCUdG
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