Stephanie García

Hi @LatinXChem, this is my work ‘Comparison of crystal packing and polymorphism in Hydantoin derivatives through Hirshfeld Surface Analysis and DFT calculations’, #LatinXChem22 #LXChemComp #Comp178

@SASMEX Lo siento pero en éstas fechas cualquier post de ustedes es de alerta por la concurrencia de temblores en ésta época, se agradece pero preferiría no ver post este mes de este tipo🫠

Conoce el número de sismos que ha detectado y alertado el Sistema de Alerta Sísmica Mexicano (SASMEX) a lo largo de su historia.

Question: What is chemistry? Andrew Szydlo: Hold my beaker Watch the full family-friendly lecture here: youtu.be/0g8lANs6zpQ

Somos un ecosistema único Una cita de Lynn Margulis  mujeresconciencia.com/2018/06/04/som…

De la penicilina a la COVID-19: el vital y poco reconocido papel de las microbiólogas mujeresconciencia.com/2020/10/30/de-…

Los orbitales atómicos son especialmente bonitos. Os enseñamos algunos de ellos:

@fjduarteg @LatinXChem ...instead to internal stabilization of 2-[F], which generates N1 as possible nucleofile. In both LUMO orbitals we could see a remarkably deficient C5, so crystal packing supramolecular forces do not change the electrophilic character on C5.

@stef_93 @LatinXChem Hi Stephanie, many thanks for sharing your work with us! How does packing (compare to the solution phase) affect the electronic properties (reactivity) of the molecules?

Hi @LatinXChem, this is my work ‘Comparison of crystal packing and polymorphism in Hydantoin derivatives through Hirshfeld Surface Analysis and DFT calculations’, #LatinXChem22 #LXChemComp #Comp178

@fjduarteg @LatinXChem Thank you for the opportunity! In response, both the packing 2-[E] and the polar solvent 2-[F] are affecting reactivity due to supramolecular interactions especifically H-bonds, so as we could see in MEP of HOMO 2-[E] the interaction are external to the ring....

@ManuelAlonsoLu2 @LatinXChem On the contrary, thanks to you!

@stef_93 @LatinXChem wow a lot of information, thank you for explaining in detail now I know how you did it TY :)

Hi @LatinXChem Here's my poster "Síntesis de derivados del producto natural 6B-acetoxivouacapano mediante la reacción de multicomponentes Ugi-Azida" #OC059 #LXChemOrg #LatinXChem22

Hola @LatinXChem, este es mi trabajo "ESTUDIO DE UN NUEVO SISTEMA HETEROCÍCLICO DEL TIPO O-TOLILINDENOS MEDIANTE CATÁLISIS CON ORO(I)". #LatinXChem22 #LXChemOrg #OC060

@ManuelAlonsoLu2 @LatinXChem Furthemore, the evidence shows that the hydantoin moiety is pH-dependent to promote a nucleophilic or electrophilic attack in a polar solvent; instead solid-state compound which has a favorable electrophilic character on C5

@ManuelAlonsoLu2 @LatinXChem The molecular structure of 2 obtained from the crystal data was performed by a single point calculation 2-[E]; meanwhile, 2-[F] was fully optimized using the DFT-B3LYP method and 6-311++G (d,p) basis set....

@ManuelAlonsoLu2 @LatinXChem The DOS analysis indicates that the energy gaps of 2-[E] and 2-[F] are closer, even if [E] is an state solid and [F] represents the predicted one solved in water; this happened because the crystal structure has a restricted conformation by solid state but it is not the global min

@ManuelAlonsoLu2 @LatinXChem Subsequently, a formatted chk archive in GaussSum gives the difference between HOMO-LUMO energy levels and the energy used to calculate group contributions to the molecular orbitals.

Hola #LatinXChem , les presento mi trabajo: Análisis de interacción de una chalcona de origen natural vs medicamento imatinib sobre la oncoproteina BCR-ABL1. mediante docking molecular. #LatinXChem22 #LXChemComp #Comp070 #DockingMolecular #Cancer

Hola @LatinXChem, les presento mi trabajo: Refinamiento estructural de complejos de coordinación entre aminoácidos y elementos del bloque d-10. #LatinxChem22 #LXChemInorg #LXChemInorg28 #Inorg28

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10 straightforward quotes on self-care: 1.