Valeria Bonilla 🇨🇴

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Valeria Bonilla 🇨🇴

Valeria Bonilla 🇨🇴

@Val_BonillaGo

Chemist from @UNALOficial.

Bogotá, Colombia เข้าร่วม Ekim 2022
17 กำลังติดตาม23 ผู้ติดตาม
Valeria Bonilla 🇨🇴 รีทวีตแล้ว
PCCP
PCCP@PCCP·
HOT and free to access now: 2023 PCCP HOT Articles. Read them here: rsc.li/pccp-hot23
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LatinXChem
LatinXChem@LatinXChem·
The organizers and judges of the #LXChemComp category with @SuntheticsML, award the second best poster to @Val_BonillaGo of @UNALOficial for her poster entitled "Energy transfer in light-harvesting macromolecules"
Valeria Bonilla 🇨🇴@Val_BonillaGo

Hey @LatinXChem! I present to you my poster for #LatinXChem22. Even though organic solar cells are awesome and could significantly contribute to environmental remediation, many haven't even heard about them. So let's change that :) #LXChemComp #Comp185 #LatinXChem #UNAL

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Valeria Bonilla 🇨🇴
Valeria Bonilla 🇨🇴@Val_BonillaGo·
@RCrespoOtero @LatinXChem Once all the conformations were excited, we proceeded with the NExMD for a total of 100 fs, with a constant energy ensemble, and calculated the transition density matrix every 0.1 fs.
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Valeria Bonilla 🇨🇴
Valeria Bonilla 🇨🇴@Val_BonillaGo·
@RCrespoOtero @LatinXChem A sample of 350 conformations of each system was excited with a simulated laser pulse according to a Franck-Condon window centered around 390 nm. The wavelength was chosen to match experimental data previously measured by other authors.
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Valeria Bonilla 🇨🇴
Valeria Bonilla 🇨🇴@Val_BonillaGo·
@RCrespoOtero @LatinXChem Hello, Rachel! We used a semiclassical approach, with the atoms represented by a classical potential, while electrons were treated with AM1 semiempirical Hamiltonian. To perform all this, we used the NEXMD software package, created by Los Alamos National Laboratory
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ค้นพบ

@LatinXChem @UNALOficial @MincienciasCo @SuntheticsML @RCrespoOtero @FlorentLouis59 @AldoZarbin @elonmusk