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Journal of Molecular Modeling|July 3, 2020
An adaptive design approach for defects distribution modeling in materials from first-principle calculationsMaicon Pierre Lourenço, Alexandre Dos Santos Anastácio, Andreia L Rosa, et al.
Nanoscale|February 8, 2022
Dynamical evolution of the Schottky barrier as a determinant contribution to electron-hole pair stabilization and photocatalysis of plasmon-induced hot carriersMatias Berdakin, German Soldano, Franco P Bonafé, et al.
The Journal of Physical Chemistry. A|February 20, 2025
Ultrafast Nonadiabatic Electron Relaxation Dynamics in Photoexcited C<sub>60</sub> MoleculesEsam Ali, Mohamed El-Amine Madjet, Ruma De, et al.
Journal of Chemical Theory and Computation|November 16, 2023
Benchmark Data Set of Crystalline Organic SemiconductorsAndriy Zhugayevych, Wenbo Sun, Tammo van der Heide, et al.
Physical Review Letters|June 24, 2023
Plasmonic Resonant Intercluster Coulombic DecayRasheed Shaik, Hari R Varma, Mohamed El-Amine Madjet, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|February 13, 2013
Fe-doped ZnO nanoparticles: the oxidation number and local charge on iron, studied by 57Fe Mößbauer spectroscopy and DFT calculationsJianping Xiao, Agnieszka Kuc, Suman Pokhrel, et al.
The Journal of Physical Chemistry Letters|December 29, 2022
Stability of Subnanometer MoS Wires under a Realistic EnvironmentDominike A P de Deus, Daniel F Souza, Andréia L da Rosa, et al.
Physical Chemistry Chemical Physics : PCCP|September 28, 2020
Exploring charge density distribution and electronic properties of hybrid organic-germanium layersFlávio Bento de Oliveira, Erika Nascimento Lima, Mauricio Chagas da Silva, et al.
The Journal of Chemical Physics|November 17, 2014
Phthalocyanine adsorption to graphene on Ir(111): evidence for decoupling from vibrational spectroscopyM Endlich, S Gozdzik, N Néel, et al.
Journal of Hazardous Materials|January 9, 2026
Laboratory investigation of inadvertently generated PCBs released from consumer products into lake waterMolly Frauenheim, Xiaoyu Liu, Katherine Woodward, et al.
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