Search Results - "Yuk, Simuck F."

Augmented and Cloud Computing With Chemical Process Simulators.

Authors: Cowart, Samuel V. Yuk, Simuck F. James, Corey M. et al.

Source: Software: Practice & Experience; May2025, Vol. 55 Issue 5, p791-808, 18p

Hydrogen Bonding Enhances the Electrochemical Hydrogenation of Benzaldehyde in the Aqueous Phase.

Authors: Sanyal, Udishnu Yuk, Simuck F. Koh, Katherine et al.

Source: Angewandte Chemie. 1/4/2021, Vol. 133 Issue 1, p294-300. 7p.

First-principle investigation on catalytic hydrogenation of benzaldehyde over Pt-group metals.

Authors: Yuk, Simuck F. Lee, Mal-Soon Akhade, Sneha A. et al.

Source: Catalysis Today. Apr2022, Vol. 388, p208-215. 8p.

Subjects: Benzaldehyde, Activation energy, Surface charges, Carbon offsetting, Density functional theory, Catalytic hydrogenation, Platinum group

Influence of Ag metal dispersion on the thermal conversion of ethanol to butadiene over Ag-ZrO2/SiO2 catalysts.

Authors: Akhade, Sneha A. Winkelman, Austin Lebarbier Dagle, Vanessa et al.

Source: Journal of Catalysis; Jun2020, Vol. 386, p30-38, 9p

Selective acetylene hydrogenation over single metal atoms supported on Fe3O4(001): A first-principle study.

Authors: Yuk, Simuck F. Collinge, Greg Nguyen, Manh-Thuong et al.

Source: Journal of Chemical Physics. 4/21/2020, Vol. 152 Issue 15, p1-9. 9p. 3 Diagrams, 2 Graphs.

A first-principles study of methyl lactate adsorption on the chiral Cu (643) surface.

Authors: Yuk, Simuck F. Asthagiri, Aravind

Source: Surface Science. Nov2014, Vol. 629, p28-34. 7p.

Subjects: Lactates, Copper compounds, Density functional theory, Adsorption capacity, Chirality, Surface chemistry, Dispersion (Chemistry)

A first-principles study of Pt thin films on SrTiO3(100): Support effects on CO adsorption.

Authors: Yuk, Simuck F. Asthagiri, Aravind

Source: Journal of Chemical Physics. 2015, Vol. 142 Issue 12, p1-10. 10p. 1 Color Photograph, 1 Diagram, 5 Charts, 5 Graphs.

Erratum: Towards an accurate description of perovskite ferroelectrics: exchange and correlation effects.

Authors: Yuk, Simuck F. Pitike, Krishna Chaitanya Nakhmanson, Serge M. et al.

Source: Scientific Reports. 5/5/2017, p46647. 1p.

Towards an accurate description of perovskite ferroelectrics: exchange and correlation effects.

Authors: Yuk, Simuck F. Pitike, Krishna Chaitanya Nakhmanson, Serge M. et al.

Source: Scientific Reports. 3/3/2017, p43482. 1p.

Electronic and magnetic properties of epitaxial SrRhO3 films.

Authors: Nichols, John Yuk, Simuck F. Changhee Sohn et al.

Source: Physical Review B. 6/22/2017, Vol. 95 Issue 24, p1-1. 1p.

Impact of functional groups on the electrocatalytic hydrogenation of aromatic carbonyls to alcohols.

Authors: Akhade, Sneha A. Lee, Mal-Soon Meyer, Laura C. et al.

Source: Catalysis Today. Aug2022, Vol. 397, p63-68. 6p.

STM and DFT studies of CO2 adsorption on O-Cu(100) surface.

Authors: Tjung, Steven J. Zhang, Qiang Repicky, Jacob J. et al.

Source: Surface Science. Jan2019, Vol. 679, p50-55. 6p.

Editorial for Special Issue: Applied Materials and Interfaces Research at the United States Military Academy in Celebration of the 250th Birthday of US Army.

Authors: Limbocker R James CM Burpo FJ et al.

Source: ACS applied materials & interfaces [ACS Appl Mater Interfaces] 2026 Feb 04; Vol. 18 (4), pp. 6271-6272.

Publication Type: Editorial

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101504991 Publication Model: Print Cited Medium: Internet ISSN: 1944-8252 (Electronic) Linking ISSN: 19448244 NLM ISO Abbreviation: ACS Appl Mater Interfaces Subsets: MEDLINE; PubMed not MEDLINE

Polyphenol-Mediated Peptide Assembly Modulates Melittin Toxicity: A Structure-Activity Strategy for Neutralizing the Interface Affinity of Pore-Forming Toxins to Cell Membranes.

Authors: Han H Palchak JC Pinc JR et al.

Source: ACS applied materials & interfaces [ACS Appl Mater Interfaces] 2025 Sep 10; Vol. 17 (36), pp. 51407-51420. Date of Electronic Publication: 2025 Aug 25.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101504991 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1944-8252 (Electronic) Linking ISSN: 19448244 NLM ISO Abbreviation: ACS Appl Mater Interfaces Subsets: MEDLINE

Rheological, electrochemical, and microstructural properties of graphene oxides as flowable electrodes for energy storage applications.

Authors: Pincot A Chin J Murphy R et al.

Source: RSC advances [RSC Adv] 2025 Mar 25; Vol. 15 (12), pp. 9190-9207. Date of Electronic Publication: 2025 Mar 25 (Print Publication: 2025).

Publication Type: Journal Article

Journal Info: Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 101581657 Publication Model: eCollection Cited Medium: Internet ISSN: 2046-2069 (Electronic) Linking ISSN: 20462069 NLM ISO Abbreviation: RSC Adv Subsets: PubMed not MEDLINE

Modality-Tunable Exfoliated N-Doped Graphene as Effective Electrolyte Additive for High-Performance Lithium-Sulfur Batteries.

Authors: Shah VR Sinha R Cesarski WJ et al.

Source: ACS applied materials & interfaces [ACS Appl Mater Interfaces] 2024 Oct 09; Vol. 16 (40), pp. 53950-53962. Date of Electronic Publication: 2024 Oct 01.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101504991 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1944-8252 (Electronic) Linking ISSN: 19448244 NLM ISO Abbreviation: ACS Appl Mater Interfaces Subsets: MEDLINE; PubMed not MEDLINE

Putting error bars on density functional theory.

Authors: Yuk SF Sargin I Meyer N et al.

Source: Scientific reports [Sci Rep] 2024 Aug 30; Vol. 14 (1), pp. 20219. Date of Electronic Publication: 2024 Aug 30.

Publication Type: Journal Article

Journal Info: Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN: 2045-2322 (Electronic) Linking ISSN: 20452322 NLM ISO Abbreviation: Sci Rep Subsets: MEDLINE; PubMed not MEDLINE

Dynamic Copper Site Redispersion through Atom Trapping in Zeolite Defects.

Authors: Purdy SC Collinge G Zhang J et al.

Source: Journal of the American Chemical Society [J Am Chem Soc] 2024 Mar 27; Vol. 146 (12), pp. 8280-8297. Date of Electronic Publication: 2024 Mar 11.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 7503056 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5126 (Electronic) Linking ISSN: 00027863 NLM ISO Abbreviation: J Am Chem Soc Subsets: MEDLINE; PubMed not MEDLINE

Environment of Metal-O-Fe Bonds Enabling High Activity in CO2 Reduction on Single Metal Atoms and on Supported Nanoparticles.

Authors: Zhu Y Yuk SF Zheng J et al.

Source: Journal of the American Chemical Society [J Am Chem Soc] 2021 Apr 14; Vol. 143 (14), pp. 5540-5549. Date of Electronic Publication: 2021 Apr 05.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 7503056 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5126 (Electronic) Linking ISSN: 00027863 NLM ISO Abbreviation: J Am Chem Soc Subsets: MEDLINE; PubMed not MEDLINE

Perspectives on van der Waals Density Functionals: The Case of TiS2.

Authors: Krogel JT Yuk SF Kent PRC et al.

Source: The journal of physical chemistry. A [J Phys Chem A] 2020 Nov 25; Vol. 124 (47), pp. 9867-9876. Date of Electronic Publication: 2020 Nov 15.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 9890903 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5215 (Electronic) Linking ISSN: 10895639 NLM ISO Abbreviation: J Phys Chem A Subsets: MEDLINE; PubMed not MEDLINE