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Journal of Chemical Theory and Computation
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November 18, 2015
Handling Magnetic Coupling in Trinuclear Cu(II) Complexes
Daniel Reta Mañeru, Ramon Costa, Meritxell Guix Márquez, et al.
Communications Chemistry
|
September 13, 2023
Minimum conditions for accurate modeling of urea production via co-electrolysis
Ricardo Urrego-Ortiz, Santiago Builes, Francesc Illas, et al.
Journal of Chemical Theory and Computation
|
November 4, 2017
Correction to Effect of Size and Structure on the Ground-State and Excited-State Electronic Structure of TiO<sub>2</sub> Nanoparticles
Daeheum Cho, Kyoung Chul Ko, Oriol Lamiel-García, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 17, 2014
The bending machine: CO2 activation and hydrogenation on δ-MoC(001) and β-Mo2C(001) surfaces
Sergio Posada-Pérez, Francesc Viñes, Pedro J Ramirez, et al.
ACS Catalysis
|
August 22, 2024
Contrasting Metallic (Rh<sup>0</sup>) and Carbidic (2D-Mo<sub>2</sub>C MXene) Surfaces in Olefin Hydrogenation Provides Insights on the Origin of the Pairwise Hydrogen Addition
Ling Meng, Ekaterina V Pokochueva, Zixuan Chen, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 16, 2019
CeO<sub>2</sub>(111) electronic reducibility tuned by ultra-small supported bimetallic Pt-Cu clusters
Lauro Oliver Paz-Borbón, Fernando Buendía, Ignacio L Garzón, et al.
Diabetes, Obesity & Metabolism
|
May 16, 2024
Once-daily oral small-molecule glucagon-like peptide-1 receptor agonist lotiglipron (PF-07081532) for type 2 diabetes and obesity: Two randomized, placebo-controlled, multiple-ascending-dose Phase 1 studies
Clare Buckeridge, Nikolaos Tsamandouras, Santos Carvajal-Gonzalez, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
The Triplet-Singlet Gap in the m-Xylylene Radical: A Not So Simple One
Daniel Reta Mañeru, Arun K Pal, Ibério de P R Moreira, et al.
Journal of Chemical Theory and Computation
|
July 6, 2016
Effect of Size and Structure on the Ground-State and Excited-State Electronic Structure of TiO2 Nanoparticles
Daeheum Cho, Kyoung Chul Ko, Oriol Lamiel-García, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 26, 2018
CO<sub>2</sub> interaction with violarite (FeNi<sub>2</sub>S<sub>4</sub>) surfaces: a dispersion-corrected DFT study
Sergio Posada-Pérez, David Santos-Carballal, Umberto Terranova, et al.
Page
of 30
Search research articles
Search
Showing results (231-240 of 292) with videos related to
Sort By:
Page
of 30
Journal of Chemical Theory and Computation
|
November 18, 2015
Handling Magnetic Coupling in Trinuclear Cu(II) Complexes
Daniel Reta Mañeru, Ramon Costa, Meritxell Guix Márquez, et al.
Communications Chemistry
|
September 13, 2023
Minimum conditions for accurate modeling of urea production via co-electrolysis
Ricardo Urrego-Ortiz, Santiago Builes, Francesc Illas, et al.
Journal of Chemical Theory and Computation
|
November 4, 2017
Correction to Effect of Size and Structure on the Ground-State and Excited-State Electronic Structure of TiO<sub>2</sub> Nanoparticles
Daeheum Cho, Kyoung Chul Ko, Oriol Lamiel-García, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 17, 2014
The bending machine: CO2 activation and hydrogenation on δ-MoC(001) and β-Mo2C(001) surfaces
Sergio Posada-Pérez, Francesc Viñes, Pedro J Ramirez, et al.
ACS Catalysis
|
August 22, 2024
Contrasting Metallic (Rh<sup>0</sup>) and Carbidic (2D-Mo<sub>2</sub>C MXene) Surfaces in Olefin Hydrogenation Provides Insights on the Origin of the Pairwise Hydrogen Addition
Ling Meng, Ekaterina V Pokochueva, Zixuan Chen, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 16, 2019
CeO<sub>2</sub>(111) electronic reducibility tuned by ultra-small supported bimetallic Pt-Cu clusters
Lauro Oliver Paz-Borbón, Fernando Buendía, Ignacio L Garzón, et al.
Diabetes, Obesity & Metabolism
|
May 16, 2024
Once-daily oral small-molecule glucagon-like peptide-1 receptor agonist lotiglipron (PF-07081532) for type 2 diabetes and obesity: Two randomized, placebo-controlled, multiple-ascending-dose Phase 1 studies
Clare Buckeridge, Nikolaos Tsamandouras, Santos Carvajal-Gonzalez, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
The Triplet-Singlet Gap in the m-Xylylene Radical: A Not So Simple One
Daniel Reta Mañeru, Arun K Pal, Ibério de P R Moreira, et al.
Journal of Chemical Theory and Computation
|
July 6, 2016
Effect of Size and Structure on the Ground-State and Excited-State Electronic Structure of TiO2 Nanoparticles
Daeheum Cho, Kyoung Chul Ko, Oriol Lamiel-García, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 26, 2018
CO<sub>2</sub> interaction with violarite (FeNi<sub>2</sub>S<sub>4</sub>) surfaces: a dispersion-corrected DFT study
Sergio Posada-Pérez, David Santos-Carballal, Umberto Terranova, et al.
Page
of 30