Search Results - "Boekfa, Bundet"

Investigation of the Suzuki–Miyaura cross-coupling reaction on a palladium H-beta zeolite with DFT calculations by Boekfa, Bundet, Maihom, Thana, Ehara, Masahiro, Limtrakul, Jumras

“…Metal or metal cluster-doped zeolites catalyse a wide variety of reactions. In this work, a coupling reaction between bromobenzene and phenylboronic acid to…”
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Theoretical study on 31P NMR chemical shifts of phosphorus-modified CHA zeolites by Zhao, Pei, Boekfa, Bundet, Nishitoba, Toshiki, Tsunoji, Nao, Sano, Tsuneji, Yokoi, Toshiyuki, Ogura, Masaru, Ehara, Masahiro

“…The 31P MAS NMR spectra of phosphorus-modified chabazite (P-CHA) zeolites have been observed during the hydrothermal treatment to probe the structural changes…”
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Effects of the Zeolite Framework on the Adsorptions and Hydrogen-Exchange Reactions of Unsaturated Aliphatic, Aromatic, and Heterocyclic Compounds in ZSM-5 Zeolite: A Combination of Perturbation Theory (MP2) and a Newly Developed Density Functional Theory (M06-2X) in ONIOM Scheme by Boekfa, Bundet, Choomwattana, Saowapak, Khongpracha, Pipat, Limtrakul, Jumras

“…The confinement effect on the adsorption and reaction mechanism of unsaturated aliphatic, aromatic and heterocyclic compounds on H-ZSM-5 zeolite has been…”
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Structure, Interaction, and Dynamics of Au/Pd Bimetallic Nanoalloys Dispersed in Aqueous Ethylpyrrolidone, a Monomeric Moiety of Polyvinylpyrrolidone by Gupta, Aditi, Boekfa, Bundet, Sakurai, Hidehiro, Ehara, Masahiro, Priyakumar, U. Deva

“…Bimetallic nanoparticles (NPs) have been shown to exhibit certain advantages over pure NPs in catalysis due to a synergistic effect. It is common to disperse…”
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C–Cl Bond Activation on Au/Pd Bimetallic Nanocatalysts Studied by Density Functional Theory and Genetic Algorithm Calculations by Boekfa, Bundet, Pahl, Elke, Gaston, Nicola, Sakurai, Hidehiro, Limtrakul, Jumras, Ehara, Masahiro

“…The C–Cl bond activation by Au/Pd bimetallic alloy nanocatalysts has been investigated with regard to the oxidative addition of chlorobenzene (PhCl). Fifteen…”
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Density functional study of the activity of gold-supported ZSM-5 zeolites for nitrous oxide decomposition by Maihom, Thana, Wannakao, Sippakorn, Boekfa, Bundet, Limtrakul, Jumras

“…[Display omitted] ► We study an effect of Au species embedded in ZSM-5 zeolite for N2O decomposition. ► Au0 system provides a lower activation energy as…”
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Metal–Porphyrin: A Potential Catalyst for Direct Decomposition of N2O by Theoretical Reaction Mechanism Investigation by Maitarad, Phornphimon, Namuangruk, Supawadee, Zhang, Dengsong, Shi, Liyi, Li, Hongrui, Huang, Lei, Boekfa, Bundet, Ehara, Masahiro

“…The adsorption of nitrous oxide (N2O) on metal–porphyrins (metal: Ti, Cr, Fe, Co, Ni, Cu, or Zn) has been theoretically investigated using density functional…”
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Adsorption and dehydration of ethanol on isomorphously B, Al, and Ga substituted H-ZSM-5 zeolite: an embedded ONIOM study by Maeboonruan, Nattida, Boekfa, Bundet, Maihom, Thana, Treesukol, Piti, Kongpatpanich, Kanokwan, Namuangruk, Supawadee, Probst, Michael, Limtrakul, Jumras

“…Dehydration reactions are important in the petroleum and petrochemical industries, especially for the feedstock production. In this work, the catalytic…”
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N2O decomposition over Fe-zeolites: Structure of the active sites and the origin of the distinct reactivity of Fe-ferrierite, Fe-ZSM-5, and Fe-beta. A combined periodic DFT and multispectral study by SKLENAK, Stepan, ANDRIKOPOULOS, Prokopis C, BOEKFA, Bundet, JANSANG, Bavornpon, NOVAKOVA, Jana, BENCO, Lubomir, BUCKO, Tomas, HAFNER, Juergen, DEDECEK, Jiří, SOBALIK, Zdeněk

“…Two Fe(II) cations accommodated in two adjacent [beta] sites of Fe-ferrierite form the active site responsible for the superior activity of Fe-ferrierite in…”
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Mechanism of Ullmann Coupling Reaction of Chloroarene on Au/Pd Alloy Nanocluster: A DFT Study by Meeprasert, Jittima, Namuangruk, Supawadee, Boekfa, Bundet, Dhital, Raghu Nath, Sakurai, Hidehiro, Ehara, Masahiro

“…Recently, a unique catalytic system of bimetallic Au/Pd alloy nanoclusters (NCs) for Ullmann coupling of chloroarenes (ArCl), which works at low temperature in…”
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Combined Experimental and Theoretical Study of the Synthesis of 5,7-Dihydroxy-4-methylcoumarin via a Pechmann Condensation in the Presence of UiO-66-SO3H Catalysts by Srirattanasakunsuk, Pattraporn, Boekfa, Bundet, Treesukol, Piti, Jarussophon, Nongpanga, Maihom, Thana, Kongpatpanich, Kanokwan, Limtrakul, Jumras

“…An efficient synthesis of 5,7-dihydroxy-4-methylcoumarin from phloroglucinol with ethyl acetoacetate in the UiO-66-SO3H metal–organic framework is reported…”
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Exploitation of missing linker in Zr-based metal-organic framework as the catalyst support for selective oxidation of benzyl alcohol by Jumpathong, Watthanachai, Pila, Taweesak, Lekjing, Yuwanda, Chirawatkul, Prae, Boekfa, Bundet, Horike, Satoshi, Kongpatpanich, Kanokwan

“…Extensive studies have been done on the modification of the organic linkers with different functional groups for ameliorating the properties of Zr-based…”
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The Activation of Methane on Ru, Rh, and Pd Decorated Carbon Nanotube and Boron Nitride Nanotube: A DFT Study by Bundet Boekfa, Piti Treesukol, Yuwanda Injongkol, Thana Maihom, Phornphimon Maitarad, Jumras Limtrakul

“…Methane decomposition catalyzed by an Ru, Rh, or Pd atom supported on a carbon or boron nitride nanotubes was analyzed by means of the density functional…”
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Theoretical and experimental investigation of NMR, IR and UV-Visible spectra of hydroxyl-substituted 4-chloromethylcoumarin derivatives by Loarueng, Chutipapha, Boekfa, Bundet, Jarussophon, Suwatchai, Pongwan, Pawinee, Kaewchangwat, Narongpol, Suttisintong, Khomson, Jarussophon, Nongpanga

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The adsorption of saturated and unsaturated hydrocarbons on nanostructured zeolites (H-MOR and H-FAU): An ONIOM study by Pantu, Piboon, Boekfa, Bundet, Limtrakul, Jumras

“…The adsorption and interactions of light alkanes and alkenes on acidic zeolites (H-MOR and H-FAU) were theoretically studied using the ONIOM approach. With the…”
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A Simple “Nano-Templating” Method Using Zeolite Y Toward the Formation of Carbon Schwarzites by Boonyoung, Pawan, Kasukabe, Takatoshi, Hoshikawa, Yasuto, Berenguer-Murcia, Ángel, Cazorla-Amorós, Diego, Boekfa, Bundet, Nishihara, Hirotomo, Kyotani, Takashi, Nueangnoraj, Khanin

“…Schwarzites have a three-dimensional sp2 carbon structure with negative Gaussian curvatures. They can be synthesized through the deposition of carbon by…”
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Production of Formic Acid via Hydrogenation of CO2 over a Copper-Alkoxide-Functionalized MOF: A Mechanistic Study by Maihom, Thana, Wannakao, Sippakorn, Boekfa, Bundet, Limtrakul, Jumras

“…Conversion of greenhouse gases to more valuable chemicals is important from both the environmental and industrial points of view. Herein, the reaction…”
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First-Principle study of lithium polysulfide adsorption on heteroatom doped graphitic carbon nitride for Lithium-Sulfur batteries by Yamsang, Nattida, Sittiwong, Jarinya, Srifa, Pemikar, Boekfa, Bundet, Sawangphruk, Montree, Maihom, Thana, Limtrakul, Jumras

“…[Display omitted] •The g-C3N4 binds lithium polysulfides (LiPSs) via lithium bond interaction.•LiPSs adsorption energies can be tuned by introducing dopant…”
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Incorporation of Al3+ Sites on Brønsted Acid Metal–Organic Frameworks for Glucose‐to‐Hydroxylmethylfurfural Transformation by Tangsermvit, Vitsarut, Pila, Taweesak, Boekfa, Bundet, Somjit, Vetiga, Klysubun, Wantana, Limtrakul, Jumras, Horike, Satoshi, Kongpatpanich, Kanokwan

“…5‐hydroxylmethylfurfural (HMF) is a bio‐based chemical that can be prepared from natural abundant glucose by using combined Brønsted–Lewis acid catalysts. In…”
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Density Functional and Coupled Cluster Study on the Conversion of Ethanol to Acetaldehyde on Isolated Zinc Sites Supported on Dealuminated BEA Zeolite by Jeevapong, Wachira, Sittiwong, Jarinya, Probst, Michael, Boekfa, Bundet, Wattanakit, Chularat, Maihom, Thana, Limtrakul, Jumras

“…We present a viable mechanism for the conversion of ethanol to acetaldehyde by sustainable heterogeneous catalysis using modified zeolites. The catalytic…”
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