Stephanie García

"El mejor científico está abierto a la experiencia y ésta empieza con un romance, es decir, la idea de que todo es posible" -Ray Bradbury-

[Stephanie García @stef_93]

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

[Stephanie García @stef_93]

@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🫠

[Royal Institution (now on Bluesky) @Ri_Science]

Question: What is chemistry?
Andrew Szydlo: Hold my beaker

Watch the full family-friendly lecture here: https://t.co/xA7IDPbPcq

[Mujeres Con Ciencia @mujerconciencia]

Somos un ecosistema único
Una cita de Lynn Margulis 
https://t.co/Vm6qX0rMym

[Mujeres Con Ciencia @mujerconciencia]

De la penicilina a la COVID-19: el vital y poco reconocido papel de las microbiólogas
https://t.co/NhL5ycWoUz

[Crespo @QuantumFracture]

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

[Stephanie García @stef_93]

@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.

[Stephanie García @stef_93]

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

[Stephanie García @stef_93]

@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....

[Stephanie García @stef_93]

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

[gabriela servin @gabriellein12]

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

[ana karen @Garcia22Karen]

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

[Stephanie García @stef_93]

@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

[Stephanie García @stef_93]

@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....

[Stephanie García @stef_93]

@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

[Stephanie García @stef_93]

@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.

[Geovannini MoPa @geovannini_m]

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

[J. Carlos JzC @JCarlos13526254]

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

#LatinxChem22 #LXChemInorg #LXChemInorg28 #Inorg28

[Mind Essentials @Mind_Essentials]

9.

[Mind Essentials @Mind_Essentials]

7.

[Wisdom For Life @BestLife_Wisdom]

10 straightforward quotes on self-care:

1.